N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide

C17H21N3O — CID 106123559

IUPACN-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
SMILESNC1CCCC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c18-14-6-3-4-12(10-14)11-19-17(21)16-9-8-13-5-1-2-7-15(13)20-16/h1-2,5,7-9,12,14H,3-4,6,10-11,18H2,(H,19,21)
InChIKeyUHTVFDWBTZEXKX-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.48
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide

N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide (PubChem CID 106123559) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
PubChem CID106123559
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
SMILESNC1CCCC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c18-14-6-3-4-12(10-14)11-19-17(21)16-9-8-13-5-1-2-7-15(13)20-16/h1-2,5,7-9,12,14H,3-4,6,10-11,18H2,(H,19,21)
InChIKeyUHTVFDWBTZEXKX-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclohexyl)methyl]quinoline-2-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

N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide (CID 106123559) is N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide is NC1CCCC(CNC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide?
The InChIKey is UHTVFDWBTZEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-14-6-3-4-12(10-14)11-19-17(21)16-9-8-13-5-1-2-7-15(13)20-16/h1-2,5,7-9,12,14H,3-4,6,10-11,18H2,(H,19,21).
What are the key properties of N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide?
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 106123559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).