2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide

C16H20N4O — CID 102738838

IUPAC2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2nc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C16H20N4O/c17-12-6-2-4-8-14(12)20-16-11(15(18)21)9-10-5-1-3-7-13(10)19-16/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H2,18,21)(H,19,20)/t12-,14-/m1/s1
InChIKeyLOXSOQDUECQRNB-TZMCWYRMSA-N
MW284.36 g/mol
LogP2.02
Rot. Bonds3

About 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide

2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide (PubChem CID 102738838) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
PubChem CID102738838
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2nc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C16H20N4O/c17-12-6-2-4-8-14(12)20-16-11(15(18)21)9-10-5-1-3-7-13(10)19-16/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H2,18,21)(H,19,20)/t12-,14-/m1/s1
InChIKeyLOXSOQDUECQRNB-TZMCWYRMSA-N
XLogP2.02
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide 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-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-bromo-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 56599952
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71643079
cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97164902
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide?
The IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide (CID 102738838) is 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide?
The canonical SMILES for 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide is NC(=O)c1cc2ccccc2nc1N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide?
The InChIKey is LOXSOQDUECQRNB-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O/c17-12-6-2-4-8-14(12)20-16-11(15(18)21)9-10-5-1-3-7-13(10)19-16/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H2,18,21)(H,19,20)/t12-,14-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide?
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 102738838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).