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

C17H19N3O — CID 2986465

IUPAC2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-3-12-4-6-13(7-5-12)19-17-18-10-14-15(20-17)8-11(2)9-16(14)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyVXCOZWHCCMPUAM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds3

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

2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2986465) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2986465
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O/c1-3-12-4-6-13(7-5-12)19-17-18-10-14-15(20-17)8-11(2)9-16(14)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyVXCOZWHCCMPUAM-UHFFFAOYSA-N
XLogP3.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylanilino)-7-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 2986465) is 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cc1.
What is the InChIKey of 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VXCOZWHCCMPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-12-4-6-13(7-5-12)19-17-18-10-14-15(20-17)8-11(2)9-16(14)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2986465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).