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

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Related Compounds

2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one
CID 137299508
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 176965151
2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one
CID 178046211
3-[[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 137298672
3-[[4-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 137298681
2-[(1R,3S)-3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]cyclopentyl]-6-fluoro-3H-quinazolin-4-one
CID 176964970
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437607
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805

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).