7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one

C15H11ClN2O3 — CID 3756203

IUPAC7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O
InChIInChI=1S/C15H11ClN2O3/c1-21-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(19)18(14)20/h2-8,20H,1H3
InChIKeyQZCWACLLRSKWLY-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.96
Rot. Bonds2

About 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one

7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 3756203) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one
PubChem CID3756203
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O
InChIInChI=1S/C15H11ClN2O3/c1-21-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(19)18(14)20/h2-8,20H,1H3
InChIKeyQZCWACLLRSKWLY-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one (CID 3756203) is 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1O.
What is the InChIKey of 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is QZCWACLLRSKWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(19)18(14)20/h2-8,20H,1H3.
What are the key properties of 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one?
7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 302.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 3756203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).