AG002VX0

286370-15-8 | 1-{2-Chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylurea

AG002VX0

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CAS Number	286370-15-8
Catalog Number	AG002VX0(AGN-PC-0MTEHY)
Chemical Name	1-{2-Chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylurea
IUPAC Name	1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea
InChI	InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
InChI Key	VPBYZLCHOKSGRX-UHFFFAOYSA-N
MDL Number	MFCD14155620
Molecular Formula	C20H21ClN4O4
Molecular Weight	416.8581
SMILES	O=C(NCCC)NC1=CC=C(OC2=C3C=C(OC)C(OC)=CC3=NC=N2)C=C1Cl
UNII	E1V875I8DX
Synonyms	KRN 633, KRN-633, KRN633, N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea, KRN-633, 286370-15-8, KRN 633, KRN633, K00589a, CHEMBL406381, 1-(2-chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylurea, UNII-E1V875I8DX, E1V875I8DX, VEGF Receptor Tyrosine Kinase Inhibitor III, KRN633, AK174947, VEGF receptor tyrosine kinase inhibitor III, 1-{2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylurea, VEGFR TYROSINE KINASE INHIBITOR III, KRN633, N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea, N-(2-Chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N′-propylurea, 1-(2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-3-propylurea, N-[2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N'-propylurea, N-{2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-propylurea, Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propyl-, Urea, N-[2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N'-propyl-, cc-528, MLS006011285, GTPL6057, SCHEMBL1249684, KS-00001CVZ, DTXSID60429551, VPBYZLCHOKSGRX-UHFFFAOYSA-N, HMS3655O03, BCP23436, EX-A2087, ZINC3966300, BDBM50375642, FD7289, IN1016, MFCD14155620, s1557, AKOS025404943, CS-0220, RL02972, SB19356, NCGC00346548-01, NCGC00346548-07, BC659944, HY-12060, QC-11695, SMR004703035, AB0033764, FT-0716166, SW219262-1, X7494, W-5576, J-017170, J-523319, KRN633, KRN-633, 286370-15-8, 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea, N-[2-Chloro-4-[(6,7-dmethoxy-4-qunazolnyl)oxy]phenyl]-n'-propylurea, N-{2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-phenyl}-N'-propylurea, -propylurea, D07HRU, C20H21ClN4O4, CID9549295, A5760, KRN633, KRN-633, KRN 633, A10504, C508488, N-(2-Chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N&prime,

Complexity	529
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	416.125g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	416.862g/mol
Monoisotopic Mass	416.125g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	94.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number