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

C24H26N4O — CID 30319027

IUPAC2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2nc3c(c(Nc4ccc(CC)cc4)n2)C(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O/c1-3-16-8-12-18(13-9-16)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-19-14-10-17(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H2,25,26,27,28)
InChIKeyLVTSQMNVHAHMFU-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.61
Rot. Bonds6

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

2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 30319027) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID30319027
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2nc3c(c(Nc4ccc(CC)cc4)n2)C(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O/c1-3-16-8-12-18(13-9-16)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-19-14-10-17(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H2,25,26,27,28)
InChIKeyLVTSQMNVHAHMFU-UHFFFAOYSA-N
XLogP5.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(4-ethylanilino)-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-(3,4-dichloroanilino)-2-(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30319078
2,4-bis(4-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30318294
2-(3,4-dimethylanilino)-4-(4-ethoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30321470
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
4-(4-chloroanilino)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30320044
4-(3,5-dimethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903093
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
4-(3,4-dichloroanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903092
4-(4-ethylanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903147
2-(4-ethylanilino)-7-methyl-4-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903079
2-(4-fluoroanilino)-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30318701
4-(2-ethylanilino)-2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903084

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 30319027) is 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one is CCc1ccc(Nc2nc3c(c(Nc4ccc(CC)cc4)n2)C(=O)CCC3)cc1.
What is the InChIKey of 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LVTSQMNVHAHMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-16-8-12-18(13-9-16)25-23-22-20(6-5-7-21(22)29)27-24(28-23)26-19-14-10-17(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one?
2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 386.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-ethylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 30319027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).