6-methoxy-2-phenyl-3H-quinazolin-4-one

C15H12N2O2 — CID 135539400

IUPAC6-methoxy-2-phenyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C15H12N2O2/c1-19-11-7-8-13-12(9-11)15(18)17-14(16-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyUHSQXWSTFPABAF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 6-methoxy-2-phenyl-3H-quinazolin-4-one

6-methoxy-2-phenyl-3H-quinazolin-4-one (PubChem CID 135539400) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-phenyl-3H-quinazolin-4-one
PubChem CID135539400
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-methoxy-2-phenyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C15H12N2O2/c1-19-11-7-8-13-12(9-11)15(18)17-14(16-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyUHSQXWSTFPABAF-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-phenyl-3H-quinazolin-4-one (CID 135539400) is 6-methoxy-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-phenyl-3H-quinazolin-4-one is COc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-phenyl-3H-quinazolin-4-one?
The InChIKey is UHSQXWSTFPABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-7-8-13-12(9-11)15(18)17-14(16-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of 6-methoxy-2-phenyl-3H-quinazolin-4-one?
6-methoxy-2-phenyl-3H-quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 135539400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).