(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone

C16H23N3O — CID 119883802

IUPAC(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCC(N)C2)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-18-9-10-19(15-6-4-3-5-14(15)18)16(20)12-7-8-13(17)11-12/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyICXVOHWOUVZDSH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds2

About (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone

(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 119883802) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID119883802
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCC(N)C2)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-18-9-10-19(15-6-4-3-5-14(15)18)16(20)12-7-8-13(17)11-12/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyICXVOHWOUVZDSH-UHFFFAOYSA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone
CID 56786660
[(1R,3R)-3-aminocyclopentyl]-[(3R)-1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 124689502
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796
cyclobutyl-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methanone
CID 53071920
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
(3-aminocyclohexyl)-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 119738099
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
CID 119883795

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 119883802) is (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone is CCN1CCN(C(=O)C2CCC(N)C2)c2ccccc21.
What is the InChIKey of (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is ICXVOHWOUVZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-9-10-19(15-6-4-3-5-14(15)18)16(20)12-7-8-13(17)11-12/h3-6,12-13H,2,7-11,17H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 119883802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).