2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide

C17H21N3O — CID 64688497

IUPAC2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC2(C)CCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-17(9-5-6-10-17)20-16(21)13-11-15(18-2)19-14-8-4-3-7-12(13)14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIVFHCYNJIBIGIY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.34
Rot. Bonds3

About 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide

2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide (PubChem CID 64688497) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
PubChem CID64688497
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC2(C)CCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-17(9-5-6-10-17)20-16(21)13-11-15(18-2)19-14-8-4-3-7-12(13)14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIVFHCYNJIBIGIY-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688890
2-hydrazinyl-N-(1-methylcyclopropyl)quinoline-4-carboxamide
CID 113486009
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
2-[(1-methylcyclohexyl)amino]quinoline-4-carbothioamide
CID 63886115
2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
CID 115769318
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide (CID 64688497) is 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide is CNc1cc(C(=O)NC2(C)CCCC2)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide?
The InChIKey is IVFHCYNJIBIGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(9-5-6-10-17)20-16(21)13-11-15(18-2)19-14-8-4-3-7-12(13)14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide?
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide is sourced from PubChem (CID 64688497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).