AG00399F

873054-44-5 | N-[2,4-Bis(Tert-Butyl)-5-Hydroxyphenyl]-1,4-Dihydro-4-Oxo-3-Quinolinecarboxamide

AG00399F

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CAS Number	873054-44-5
Catalog Number	AG00399F(AGN-PC-00US59)
Chemical Name	N-[2,4-Bis(Tert-Butyl)-5-Hydroxyphenyl]-1,4-Dihydro-4-Oxo-3-Quinolinecarboxamide
IUPAC Name	N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
InChI	InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
InChI Key	PURKAOJPTOLRMP-UHFFFAOYSA-N
MDL Number	MFCD17171361
Molecular Formula	C24H28N2O3
Molecular Weight	392.4907
SMILES	C(C)(C)(C)C1=C(C=C(C(=C1)C(C)(C)C)O)NC(=O)C1=CNC2=CC=CC=C2C1=O
UNII	1Y740ILL1Z
Synonyms	3-quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, ivacaftor, Kalydeco, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, VX-770, Ivacaftor, 873054-44-5, VX-770, Kalydeco, Ivacaftor (VX-770), N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, VX 770, VX770, UNII-1Y740ILL1Z, CHEBI:66901, N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide, 1Y740ILL1Z, 3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, Kalydeco (TN), Ivacaftor [USAN:INN], ivacaftorum, 3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-, Ivacaftor D18, Tube715, Ivacaftor (USAN/INN), VX-770 - Ivacaftor, MLS006011119, SCHEMBL351373, GTPL4342, QUI135, VX-770, Ivacaftor, Kalydeco, CHEMBL2010601, DTXSID00236281, EX-A441, QCR-155, PURKAOJPTOLRMP-UHFFFAOYSA-N, BCPP000199, HMS3654E10, AOB31714, ABP000259, BDBM50032693, MFCD17171361, s1144, VX-770/VX770, ZINC52509463, AKOS015994762, AKOS032950001, BCP9000799, CS-0497, DB08820, EX-7211, LE-0002, SB16815, KS-0000063W, NCGC00242480-01, 4CA-0661, AC-28324, AK170457, AN-16981, BC660099, HY-13017, SC-95534, SMR004702900, AB0008116, AB2000007, FT-0696681, SW219620-1, X7565, EC-000.2478, A25626, D09916, W-5681, AB01565806_02, VX770, VX 770, Ivacaftor, 873054-44-5, N-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide, N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide, 1413431-05-6, Kalydeco|||N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide, Ivacaftor [USAN], D0W7WC, Ivacaftor - 25MG 25mg, cc-231, C24H28N2O3, C24-H28-N2-O3, CS-O-30953, A5047, A10985, C545203, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, N-(2,4-Di-tert-butyl-5-hydroxyphenyl)-1,4-dihydro-4-oxoquinoline-3-carboxamide,

Complexity	671
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.21g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	392.499g/mol
Monoisotopic Mass	392.21g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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