2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one

C16H14N2O3 — CID 135484663

IUPAC2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQZYGERCWCIKOGH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one

2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135484663) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
PubChem CID135484663
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQZYGERCWCIKOGH-UHFFFAOYSA-N
XLogP2.61
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-(3-ethoxy-4-hydroxyphenyl)-3H-quinazolin-4-one
CID 136044078
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135464616
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135513721
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972
2-(3,4-Dihydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 135501581
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one (CID 135484663) is 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is QZYGERCWCIKOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one?
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135484663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).