2-(3-methoxyphenyl)-3H-quinazolin-4-one

C15H12N2O2 — CID 135486399

IUPAC2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyDUQSFLFKFAGWIS-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 2-(3-methoxyphenyl)-3H-quinazolin-4-one

2-(3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135486399) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID135486399
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyDUQSFLFKFAGWIS-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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Related Compounds

2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104586
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
[3-(4-oxo-3H-quinazolin-2-yl)phenyl] 2-chlorobenzoate
CID 168552263
2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
CID 168553348
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3H-quinazolin-4-one (CID 135486399) is 2-(3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3H-quinazolin-4-one is COc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is DUQSFLFKFAGWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-(3-methoxyphenyl)-3H-quinazolin-4-one?
2-(3-methoxyphenyl)-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 2-(3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135486399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).