AG00102F

1320288-17-2 | 4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-

AG00102F

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CAS Number	1320288-17-2
Catalog Number	AG00102F(AGN-PC-0WAH0H)
Chemical Name	4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-
IUPAC Name	N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
InChI	InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
InChI Key	OUKWLRHRXOPODD-UHFFFAOYSA-N
MDL Number	MFCD22378486
Molecular Formula	C36H59N7O2
Molecular Weight	621.8994
SMILES	COC1=CC2=C(NC3CCN(C4CCCCC4)CC3)N=C(N5CCN(C(C)C)CCC5)N=C2C=C1OCCCN6CCCCC6
Synonyms	N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine, UNC 0646, UNC-0646, UNC0646, UNC0646, 1320288-17-2, UNC 0646, CHEMBL1829304, (1-CYCLOHEXYL-PIPERIDIN-4-YL)-[2-(4-ISOPROPYL-[1,4]DIAZEPAN-1-YL)-6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)-QUINAZOLIN-4-YL]-AMINE, N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine, N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine, SCHEMBL16569051, CHEBI:124924, C36H59N7O2, BCP08634, EX-A2318, KS-00001D7C, 4143AH, BDBM50353131, MFCD22378486, ZINC72118726, AKOS024458104, CS-2122, NCGC00189144-01, HY-13807, AB0070839, A13194, J-006105, 4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-, N-(1-Cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamine, N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]-2-[4-(propan-2-yl)-1,4-diazepan-1-yl]quinazolin-4-amine, UNC-0646, A4504, C562047, UNC06467-(2-(2-(diMethylaMino)ethoxy)ethoxy)-6-Methoxy-2-(4-Methyl-1,4-diazepan-1-yl)-N-(1-Methylpiperidin-4-yl)quinazolin-4-aMine,

Complexity	845
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	621.473g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	621.915g/mol
Monoisotopic Mass	621.473g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	69.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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