1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one

C16H21N3O — CID 79572176

IUPAC1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC2CCCC2N)c1=O
InChIInChI=1S/C16H21N3O/c1-11-16(20)19(10-9-12-5-4-6-13(12)17)15-8-3-2-7-14(15)18-11/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3
InChIKeyXJXTWBMEEFFZQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one

1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one (PubChem CID 79572176) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one
PubChem CID79572176
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC2CCCC2N)c1=O
InChIInChI=1S/C16H21N3O/c1-11-16(20)19(10-9-12-5-4-6-13(12)17)15-8-3-2-7-14(15)18-11/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3
InChIKeyXJXTWBMEEFFZQM-UHFFFAOYSA-N
XLogP2.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one 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 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one (CID 79572176) is 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CCC2CCCC2N)c1=O.
What is the InChIKey of 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one?
The InChIKey is XJXTWBMEEFFZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-16(20)19(10-9-12-5-4-6-13(12)17)15-8-3-2-7-14(15)18-11/h2-3,7-8,12-13H,4-6,9-10,17H2,1H3.
What are the key properties of 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one?
1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 79572176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).