2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide

C23H19ClN4O3 — CID 18967578

IUPAC2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
SMILESCOc1cc2ncnc(Nc3ccc(C(=O)Nc4ccccc4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClN4O3/c1-30-20-11-17-19(12-21(20)31-2)25-13-26-22(17)27-15-8-9-16(18(24)10-15)23(29)28-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyWZDNCDACXMXYJZ-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.30
Rot. Bonds6

About 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide

2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide (PubChem CID 18967578) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
PubChem CID18967578
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
SMILESCOc1cc2ncnc(Nc3ccc(C(=O)Nc4ccccc4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClN4O3/c1-30-20-11-17-19(12-21(20)31-2)25-13-26-22(17)27-15-8-9-16(18(24)10-15)23(29)28-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyWZDNCDACXMXYJZ-UHFFFAOYSA-N
XLogP5.30
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851
1-[2-chloro-4-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenyl]-3-phenylurea
CID 134152440
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide?
The IUPAC name of 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide (CID 18967578) is 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide is COc1cc2ncnc(Nc3ccc(C(=O)Nc4ccccc4)c(Cl)c3)c2cc1OC.
What is the InChIKey of 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide?
The InChIKey is WZDNCDACXMXYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-30-20-11-17-19(12-21(20)31-2)25-13-26-22(17)27-15-8-9-16(18(24)10-15)23(29)28-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide?
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide has a molecular weight of 434.88 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 18967578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).