4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide

C21H14Cl2N4O — CID 20966031

IUPAC4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H14Cl2N4O/c22-13-8-10-15(11-9-13)24-19-17-6-1-2-7-18(17)26-20(27-19)21(28)25-16-5-3-4-14(23)12-16/h1-12H,(H,25,28)(H,24,26,27)
InChIKeyGSKORNBUOQVNEK-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.93
Rot. Bonds4

About 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide

4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide (PubChem CID 20966031) has the molecular formula C21H14Cl2N4O and a molecular weight of 409.28 g/mol. Its IUPAC name is 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
PubChem CID20966031
Molecular FormulaC21H14Cl2N4O
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H14Cl2N4O/c22-13-8-10-15(11-9-13)24-19-17-6-1-2-7-18(17)26-20(27-19)21(28)25-16-5-3-4-14(23)12-16/h1-12H,(H,25,28)(H,24,26,27)
InChIKeyGSKORNBUOQVNEK-UHFFFAOYSA-N
XLogP5.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide
CID 22334924
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]anilino]quinazoline-2-carboxamide
CID 163183497
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
6-chloro-N-phenylquinazoline-2-carboxamide
CID 14528220
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide?
The IUPAC name of 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide (CID 20966031) is 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide?
The canonical SMILES for 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide?
The InChIKey is GSKORNBUOQVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O/c22-13-8-10-15(11-9-13)24-19-17-6-1-2-7-18(17)26-20(27-19)21(28)25-16-5-3-4-14(23)12-16/h1-12H,(H,25,28)(H,24,26,27).
What are the key properties of 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide?
4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide has a molecular weight of 409.28 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide is sourced from PubChem (CID 20966031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).