2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one

C20H16Cl2N4O — CID 30318294

IUPAC2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H16Cl2N4O/c21-12-4-8-14(9-5-12)23-19-18-16(2-1-3-17(18)27)25-20(26-19)24-15-10-6-13(22)7-11-15/h4-11H,1-3H2,(H2,23,24,25,26)
InChIKeyBVXMFVLHDFWSKH-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.79
Rot. Bonds4

About 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one

2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 30318294) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID30318294
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H16Cl2N4O/c21-12-4-8-14(9-5-12)23-19-18-16(2-1-3-17(18)27)25-20(26-19)24-15-10-6-13(22)7-11-15/h4-11H,1-3H2,(H2,23,24,25,26)
InChIKeyBVXMFVLHDFWSKH-UHFFFAOYSA-N
XLogP5.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloroanilino)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30320044
2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319027
4-(3,4-dichloroanilino)-2-(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319078
2-anilino-4-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317879
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2-(4-fluoroanilino)-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30318701
2-anilino-4-(4-chloroanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902982
2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30321470
2-(4-chloroanilino)-4-(4-fluoroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30318576
4-(3-chloro-4-methylanilino)-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30320466
ethyl 4-[4-(4-chloroanilino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 30316107
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 30318294) is 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)c21.
What is the InChIKey of 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BVXMFVLHDFWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-12-4-8-14(9-5-12)23-19-18-16(2-1-3-17(18)27)25-20(26-19)24-15-10-6-13(22)7-11-15/h4-11H,1-3H2,(H2,23,24,25,26).
What are the key properties of 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one?
2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 399.28 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 30318294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).