3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone

C15H12N2O3 — CID 1487338

IUPAC3-hydroxy-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O
InChIInChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3
InChIKeyGJQLJFUURRPPJN-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.00
Rot. Bonds2

About 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone

3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone (PubChem CID 1487338) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone
PubChem CID1487338
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O
InChIInChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3
InChIKeyGJQLJFUURRPPJN-UHFFFAOYSA-N
XLogP2.00
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity402

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
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-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135417274
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone (CID 1487338) is 3-hydroxy-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone is COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone?
The InChIKey is GJQLJFUURRPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3.
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone?
3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone has a molecular weight of 268.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone is sourced from PubChem (CID 1487338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).