N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide

C19H25N3O — CID 163308171

IUPACN-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
SMILESCN(C)C1CCC(CNC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H25N3O/c1-22(2)16-10-7-14(8-11-16)13-20-19(23)18-12-9-15-5-3-4-6-17(15)21-18/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyKXZCFIONTPYGNJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide

N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide (PubChem CID 163308171) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
PubChem CID163308171
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
SMILESCN(C)C1CCC(CNC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H25N3O/c1-22(2)16-10-7-14(8-11-16)13-20-19(23)18-12-9-15-5-3-4-6-17(15)21-18/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyKXZCFIONTPYGNJ-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
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-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
CID 71885341
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide (CID 163308171) is N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide is CN(C)C1CCC(CNC(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide?
The InChIKey is KXZCFIONTPYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(2)16-10-7-14(8-11-16)13-20-19(23)18-12-9-15-5-3-4-6-17(15)21-18/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide?
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 163308171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).