2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one

C15H11ClN2O3 — CID 135452683

IUPAC2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O
InChIInChI=1S/C15H11ClN2O3/c1-21-12-7-8(6-10(16)13(12)19)14-17-11-5-3-2-4-9(11)15(20)18-14/h2-7,19H,1H3,(H,17,18,20)
InChIKeyARWZLVSPYHOWHJ-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one

2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135452683) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135452683
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O
InChIInChI=1S/C15H11ClN2O3/c1-21-12-7-8(6-10(16)13(12)19)14-17-11-5-3-2-4-9(11)15(20)18-14/h2-7,19H,1H3,(H,17,18,20)
InChIKeyARWZLVSPYHOWHJ-UHFFFAOYSA-N
XLogP2.96
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-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-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one (CID 135452683) is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is ARWZLVSPYHOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-12-7-8(6-10(16)13(12)19)14-17-11-5-3-2-4-9(11)15(20)18-14/h2-7,19H,1H3,(H,17,18,20).
What are the key properties of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one?
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 302.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135452683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).