5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one

C10H7FN2O2 — CID 143679562

IUPAC5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one
SMILESC=C(O)c1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C10H7FN2O2/c1-5(14)9-12-7-4-2-3-6(11)8(7)10(15)13-9/h2-4,14H,1H2,(H,12,13,15)
InChIKeyVYCHQEKHHDCZBT-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.59
Rot. Bonds1

About 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one

5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one (PubChem CID 143679562) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one
PubChem CID143679562
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one
SMILESC=C(O)c1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C10H7FN2O2/c1-5(14)9-12-7-4-2-3-6(11)8(7)10(15)13-9/h2-4,14H,1H2,(H,12,13,15)
InChIKeyVYCHQEKHHDCZBT-UHFFFAOYSA-N
XLogP1.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(1-hydroxyethenyl)-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

5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
5-fluoro-2-(nitromethyl)-3H-quinazolin-4-one
CID 137288291
2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 175981431
(E)-3-(2-chloro-6-fluorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135454440
5-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 149159805
2-[2-(2,2-difluoroethoxy)-4-pyridinyl]-5-fluoro-3H-quinazolin-4-one
CID 167774520
1-oxo-2,7,8,9-tetrahydrocyclopenta[f]quinazoline-3-carboxylic acid
CID 135961511
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one?
The IUPAC name of 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one (CID 143679562) is 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one?
The canonical SMILES for 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one is C=C(O)c1nc2cccc(F)c2c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one?
The InChIKey is VYCHQEKHHDCZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-5(14)9-12-7-4-2-3-6(11)8(7)10(15)13-9/h2-4,14H,1H2,(H,12,13,15).
What are the key properties of 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one?
5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one has a molecular weight of 206.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 143679562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).