3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione

C13H13FN2O2 — CID 167996741

IUPAC3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=C(F)C2C(=O)N1C1CCCC1
InChIInChI=1S/C13H13FN2O2/c14-9-6-3-7-10-11(9)12(17)16(13(18)15-10)8-4-1-2-5-8/h3,6-8,11H,1-2,4-5H2
InChIKeyZINMCPZHKMLNSM-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.37
Rot. Bonds1

About 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione

3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione (PubChem CID 167996741) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione
PubChem CID167996741
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=C(F)C2C(=O)N1C1CCCC1
InChIInChI=1S/C13H13FN2O2/c14-9-6-3-7-10-11(9)12(17)16(13(18)15-10)8-4-1-2-5-8/h3,6-8,11H,1-2,4-5H2
InChIKeyZINMCPZHKMLNSM-UHFFFAOYSA-N
XLogP2.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione 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 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione (CID 167996741) is 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione is O=C1N=C2C=CC=C(F)C2C(=O)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione?
The InChIKey is ZINMCPZHKMLNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-6-3-7-10-11(9)12(17)16(13(18)15-10)8-4-1-2-5-8/h3,6-8,11H,1-2,4-5H2.
What are the key properties of 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione?
3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione has a molecular weight of 248.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-fluoro-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 167996741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).