(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C15H20FN3O — CID 119899709

IUPAC(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCC(N)C2)c2ccc(F)cc21
InChIInChI=1S/C15H20FN3O/c1-18-6-7-19(13-5-3-11(16)9-14(13)18)15(20)10-2-4-12(17)8-10/h3,5,9-10,12H,2,4,6-8,17H2,1H3
InChIKeyGNLHQXDNZUOFGV-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.74
Rot. Bonds1

About (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 119899709) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID119899709
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCC(N)C2)c2ccc(F)cc21
InChIInChI=1S/C15H20FN3O/c1-18-6-7-19(13-5-3-11(16)9-14(13)18)15(20)10-2-4-12(17)8-10/h3,5,9-10,12H,2,4,6-8,17H2,1H3
InChIKeyGNLHQXDNZUOFGV-UHFFFAOYSA-N
XLogP1.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 124700230
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119883802
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
1,3-dithiolan-2-yl-(7-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 122133504
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
3,4-dihydro-2H-chromen-2-yl-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 138008189
[(1R,3R)-3-aminocyclopentyl]-[(3R)-1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 124689502
[(1S,3S)-3-aminocyclohexyl]-[(2R)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 125134962
7-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one;dihydrochloride
CID 119899696
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 119899709) is (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)C2CCC(N)C2)c2ccc(F)cc21.
What is the InChIKey of (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is GNLHQXDNZUOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-18-6-7-19(13-5-3-11(16)9-14(13)18)15(20)10-2-4-12(17)8-10/h3,5,9-10,12H,2,4,6-8,17H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 277.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 119899709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).