2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one

C19H15N3O — CID 135567454

IUPAC2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one
SMILESCc1nc2ccc(-c3ccnc4ccccc34)c(C)c2c(=O)[nH]1
InChIInChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
InChIKeyCNEUJSQUCXSRDD-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.76
Rot. Bonds1

About 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one

2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one (PubChem CID 135567454) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one
PubChem CID135567454
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one
SMILESCc1nc2ccc(-c3ccnc4ccccc34)c(C)c2c(=O)[nH]1
InChIInChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
InChIKeyCNEUJSQUCXSRDD-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-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

3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
Aminoquinazoline amide, 35
CID 25138148
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
CID 25147692
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
Quinoline-3-carboxylic acid adamantan-1-ylamide
CID 12042753
XR-9577
CID 15950351

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one (CID 135567454) is 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one is Cc1nc2ccc(-c3ccnc4ccccc34)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one?
The InChIKey is CNEUJSQUCXSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one?
2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-quinolin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135567454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).