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

C15H12N2O3 — CID 136632047

IUPAC2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C15H12N2O3/c1-20-13-8-9(6-7-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
InChIKeyOIUTUDZPVAEFTJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.30
Rot. Bonds2

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

2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 136632047) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID136632047
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C15H12N2O3/c1-20-13-8-9(6-7-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19)
InChIKeyOIUTUDZPVAEFTJ-UHFFFAOYSA-N
XLogP2.30
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
Isaindigotone
CID 135433966
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
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
2-(3,4-Dihydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 135501581
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one (CID 136632047) is 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is OIUTUDZPVAEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-13-8-9(6-7-12(13)18)14-16-11-5-3-2-4-10(11)15(19)17-14/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one?
2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136632047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).