1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one

C13H15FN2O — CID 105494352

IUPAC1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2cc(F)ccc2N1C1CCCC1
InChIInChI=1S/C13H15FN2O/c14-9-5-6-12-11(7-9)15-8-13(17)16(12)10-3-1-2-4-10/h5-7,10,15H,1-4,8H2
InChIKeyZKCGTZPODAHKRF-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.53
Rot. Bonds1

About 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one

1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one (PubChem CID 105494352) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
PubChem CID105494352
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2cc(F)ccc2N1C1CCCC1
InChIInChI=1S/C13H15FN2O/c14-9-5-6-12-11(7-9)15-8-13(17)16(12)10-3-1-2-4-10/h5-7,10,15H,1-4,8H2
InChIKeyZKCGTZPODAHKRF-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
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1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
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3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
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6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
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9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84633414
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one (CID 105494352) is 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one is O=C1CNc2cc(F)ccc2N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one?
The InChIKey is ZKCGTZPODAHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-9-5-6-12-11(7-9)15-8-13(17)16(12)10-3-1-2-4-10/h5-7,10,15H,1-4,8H2.
What are the key properties of 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one?
1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 105494352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).