6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one

C14H11N3O2 — CID 135892459

IUPAC6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cn1
InChIInChI=1S/C14H11N3O2/c1-19-13-5-3-10(7-15-13)9-2-4-12-11(6-9)14(18)17-8-16-12/h2-8H,1H3,(H,16,17,18)
InChIKeyIAOWROVERJAIFE-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds2

About 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one

6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one (PubChem CID 135892459) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one
PubChem CID135892459
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cn1
InChIInChI=1S/C14H11N3O2/c1-19-13-5-3-10(7-15-13)9-2-4-12-11(6-9)14(18)17-8-16-12/h2-8H,1H3,(H,16,17,18)
InChIKeyIAOWROVERJAIFE-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(6-methoxy-3-pyridinyl)-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-[(4-fluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-oxoquinazoline-6-carboxamide
CID 10173271
2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557473
2-Isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557474
3-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557494
2-(6-(5-((dimethylamino)methyl)pyridin-3-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54582808
2-(6-(4-((dimethylamino)methyl)pyridin-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 54586699
11-oxo-2-propan-2-yl-N-(4-pyridin-3-yloxybutyl)pyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
CID 13557465
3-[2-(3-methoxyphenyl)ethyl]-N-propan-2-yl-2-pyridin-3-yl-4H-quinazoline-7-carboxamide
CID 45488516
N-(1-adamantyl)-6-(6-methoxy-3-pyridinyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 46915019
2-[6-(3-methoxyphenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 70687937
7-Chloro-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethylamino]-3-methylquinazolin-4-one
CID 134149917
5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H-quinazolin-4-one
CID 135444566

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one (CID 135892459) is 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one is COc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one?
The InChIKey is IAOWROVERJAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-13-5-3-10(7-15-13)9-2-4-12-11(6-9)14(18)17-8-16-12/h2-8H,1H3,(H,16,17,18).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one?
6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135892459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).