2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one

C19H18N2O3 — CID 168551703

IUPAC2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
SMILESC=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1O
InChIInChI=1S/C19H18N2O3/c1-3-7-12-10-13(11-16(17(12)22)24-4-2)18-20-15-9-6-5-8-14(15)19(23)21-18/h3,5-6,8-11,22H,1,4,7H2,2H3,(H,20,21,23)
InChIKeyOLTHJPLNWVWPKV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one

2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one (PubChem CID 168551703) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
PubChem CID168551703
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one
SMILESC=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1O
InChIInChI=1S/C19H18N2O3/c1-3-7-12-10-13(11-16(17(12)22)24-4-2)18-20-15-9-6-5-8-14(15)19(23)21-18/h3,5-6,8-11,22H,1,4,7H2,2H3,(H,20,21,23)
InChIKeyOLTHJPLNWVWPKV-UHFFFAOYSA-N
XLogP3.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
CID 168554525
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one (CID 168551703) is 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one is C=CCc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(OCC)c1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one?
The InChIKey is OLTHJPLNWVWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-7-12-10-13(11-16(17(12)22)24-4-2)18-20-15-9-6-5-8-14(15)19(23)21-18/h3,5-6,8-11,22H,1,4,7H2,2H3,(H,20,21,23).
What are the key properties of 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one?
2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).