N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide

C20H27N3O — CID 71885341

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-22(17-9-4-3-5-10-17)14-15-23(2)20(24)19-13-12-16-8-6-7-11-18(16)21-19/h6-8,11-13,17H,3-5,9-10,14-15H2,1-2H3
InChIKeyXSJMVXCMGXBCFV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.57
Rot. Bonds5

About N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide (PubChem CID 71885341) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
PubChem CID71885341
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-22(17-9-4-3-5-10-17)14-15-23(2)20(24)19-13-12-16-8-6-7-11-18(16)21-19/h6-8,11-13,17H,3-5,9-10,14-15H2,1-2H3
InChIKeyXSJMVXCMGXBCFV-UHFFFAOYSA-N
XLogP3.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
CID 102872000
2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
N-[2-(2-methoxyphenoxy)ethyl]-N-methylquinoline-2-carboxamide
CID 60537120
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide (CID 71885341) is N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide is CN(CCN(C)C1CCCCC1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide?
The InChIKey is XSJMVXCMGXBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(17-9-4-3-5-10-17)14-15-23(2)20(24)19-13-12-16-8-6-7-11-18(16)21-19/h6-8,11-13,17H,3-5,9-10,14-15H2,1-2H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 71885341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).