2-cyclopentyl-6-fluoro-3H-quinazolin-4-one

C13H13FN2O — CID 137190164

IUPAC2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCC2)nc2ccc(F)cc12
InChIInChI=1S/C13H13FN2O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16,17)
InChIKeyRCJRWVPVNKZPCK-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.72
Rot. Bonds1

About 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one

2-cyclopentyl-6-fluoro-3H-quinazolin-4-one (PubChem CID 137190164) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
PubChem CID137190164
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCC2)nc2ccc(F)cc12
InChIInChI=1S/C13H13FN2O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16,17)
InChIKeyRCJRWVPVNKZPCK-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-6-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one (CID 137190164) is 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one is O=c1[nH]c(C2CCCC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one?
The InChIKey is RCJRWVPVNKZPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16,17).
What are the key properties of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one?
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one has a molecular weight of 232.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 137190164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).