2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one

C18H13N3O3 — CID 135421568

IUPAC2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
SMILESCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21
InChIInChI=1S/C18H13N3O3/c1-21-13-9-5-3-7-11(13)15(22)14(18(21)24)16-19-12-8-4-2-6-10(12)17(23)20-16/h2-9,22H,1H3,(H,19,20,23)
InChIKeyUYYZRITWKXWUPR-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one

2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one (PubChem CID 135421568) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
PubChem CID135421568
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
SMILESCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21
InChIInChI=1S/C18H13N3O3/c1-21-13-9-5-3-7-11(13)15(22)14(18(21)24)16-19-12-8-4-2-6-10(12)17(23)20-16/h2-9,22H,1H3,(H,19,20,23)
InChIKeyUYYZRITWKXWUPR-UHFFFAOYSA-N
XLogP2.15
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-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

2-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135400710
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one
CID 135537301
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
CID 168552978
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136925309
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-quinazolin-4-one
CID 168550883
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
CID 136925369
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one (CID 135421568) is 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one is Cn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
The InChIKey is UYYZRITWKXWUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-21-13-9-5-3-7-11(13)15(22)14(18(21)24)16-19-12-8-4-2-6-10(12)17(23)20-16/h2-9,22H,1H3,(H,19,20,23).
What are the key properties of 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one?
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one has a molecular weight of 319.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135421568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).