2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

C15H15N3O — CID 17228330

IUPAC2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H15N3O/c1-10-4-2-5-11(8-10)17-15-16-9-12-13(18-15)6-3-7-14(12)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyDYSMSOZGDSBFGJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.05
Rot. Bonds2

About 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17228330) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID17228330
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1cccc(Nc2ncc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H15N3O/c1-10-4-2-5-11(8-10)17-15-16-9-12-13(18-15)6-3-7-14(12)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyDYSMSOZGDSBFGJ-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylanilino)-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

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156
4-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzenesulfonamide
CID 145950373
4-[(7,7-Dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)amino]benzenesulfonamide
CID 145957236

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 17228330) is 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1cccc(Nc2ncc3c(n2)CCCC3=O)c1.
What is the InChIKey of 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DYSMSOZGDSBFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-4-2-5-11(8-10)17-15-16-9-12-13(18-15)6-3-7-14(12)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 253.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17228330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).