2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid

C15H17N3O2 — CID 64818215

IUPAC2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-5-1-2-6-11(10)17-14-9-16-12-7-3-4-8-13(12)18-14/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyPEBSMCNEMDKAEB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds3

About 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid

2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 64818215) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID64818215
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)10-5-1-2-6-11(10)17-14-9-16-12-7-3-4-8-13(12)18-14/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20)
InChIKeyPEBSMCNEMDKAEB-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435
2-[cyclopropylmethyl-[3-(quinoxalin-2-ylamino)cyclobutyl]amino]acetic acid
CID 122061367
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
(3-fluoro-2-methoxyphenyl)-[(2S,3S)-2-methyl-3-(quinoxalin-2-ylamino)piperidin-1-yl]methanone
CID 134143872
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
CID 113296576

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid (CID 64818215) is 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1Nc1cnc2ccccc2n1.
What is the InChIKey of 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PEBSMCNEMDKAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)10-5-1-2-6-11(10)17-14-9-16-12-7-3-4-8-13(12)18-14/h3-4,7-11H,1-2,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid?
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).