3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

C23H19ClN4O3 — CID 162673382

IUPAC3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C23H19ClN4O3/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)27-16-6-8-17(9-7-16)28-23(29)14-4-3-5-15(24)10-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyCXKREMVZXNVXQY-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.30
Rot. Bonds6

About 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 162673382) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID162673382
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C23H19ClN4O3/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)27-16-6-8-17(9-7-16)28-23(29)14-4-3-5-15(24)10-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyCXKREMVZXNVXQY-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

Analyze 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide with MolForge

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Related Compounds

3-chloro-N-[5-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]-2-pyridinyl]benzamide
CID 57447230
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
3-chloro-N-[5-[[6-methoxy-7-[[(2S)-oxiran-2-yl]methoxy]quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 87871106
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide
CID 146946385
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
3-chloro-N-[5-[[7-[3-(4-ethynylpiperazin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]-2-pyridinyl]benzamide
CID 69308865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 162673382) is 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2cc1OC.
What is the InChIKey of 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is CXKREMVZXNVXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)27-16-6-8-17(9-7-16)28-23(29)14-4-3-5-15(24)10-14/h3-13H,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide 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 3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 162673382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).