2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one

C21H16N2O2 — CID 168551424

IUPAC2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(-c2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H16N2O2/c1-25-15-8-6-7-14(13-15)16-9-2-3-10-17(16)20-22-19-12-5-4-11-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyLAFXAQKTPBFCID-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.27
Rot. Bonds3

About 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one

2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168551424) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
PubChem CID168551424
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(-c2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H16N2O2/c1-25-15-8-6-7-14(13-15)16-9-2-3-10-17(16)20-22-19-12-5-4-11-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyLAFXAQKTPBFCID-UHFFFAOYSA-N
XLogP4.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
CID 168553348
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-[2-(benzenesulfonyl)-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551606
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one (CID 168551424) is 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one is COc1cccc(-c2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is LAFXAQKTPBFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-15-8-6-7-14(13-15)16-9-2-3-10-17(16)20-22-19-12-5-4-11-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24).
What are the key properties of 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one?
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).