4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide

C21H14ClFN4O — CID 20966030

IUPAC4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H14ClFN4O/c22-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)26-20(27-19)21(28)25-16-11-7-14(23)8-12-16/h1-12H,(H,25,28)(H,24,26,27)
InChIKeyLYAIGRZPEXZQAR-UHFFFAOYSA-N
MW392.82 g/mol
LogP5.42
Rot. Bonds4

About 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide

4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide (PubChem CID 20966030) has the molecular formula C21H14ClFN4O and a molecular weight of 392.82 g/mol. Its IUPAC name is 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
PubChem CID20966030
Molecular FormulaC21H14ClFN4O
Molecular Weight392.82 g/mol
Exact Mass392.08
IUPAC Name4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H14ClFN4O/c22-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)26-20(27-19)21(28)25-16-11-7-14(23)8-12-16/h1-12H,(H,25,28)(H,24,26,27)
InChIKeyLYAIGRZPEXZQAR-UHFFFAOYSA-N
XLogP5.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
CID 20966031
4-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]quinazoline-2-carboxamide
CID 22334924
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420
N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
CID 53020403
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
4-anilino-N-(3-chloro-2-methylphenyl)quinazoline-2-carboxamide
CID 53020339
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine
CID 23652966
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide?
The IUPAC name of 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide (CID 20966030) is 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide?
The canonical SMILES for 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide?
The InChIKey is LYAIGRZPEXZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O/c22-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)26-20(27-19)21(28)25-16-11-7-14(23)8-12-16/h1-12H,(H,25,28)(H,24,26,27).
What are the key properties of 4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide?
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide has a molecular weight of 392.82 g/mol, XLogP of 5.42, 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-(4-fluorophenyl)quinazoline-2-carboxamide is sourced from PubChem (CID 20966030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).