N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide

C17H20N2O — CID 115881808

IUPACN-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H20N2O/c1-17(2)8-7-14(11-17)19-16(20)13-5-6-15-12(10-13)4-3-9-18-15/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyLPHIXKROBLODQL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide

N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide (PubChem CID 115881808) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
PubChem CID115881808
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H20N2O/c1-17(2)8-7-14(11-17)19-16(20)13-5-6-15-12(10-13)4-3-9-18-15/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyLPHIXKROBLODQL-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
CID 114550316
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
CID 113345728
N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
ethane;quinoline-6-carboxylic acid
CID 91364452
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
CID 169421424

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide (CID 115881808) is N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide is CC1(C)CCC(NC(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide?
The InChIKey is LPHIXKROBLODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)8-7-14(11-17)19-16(20)13-5-6-15-12(10-13)4-3-9-18-15/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide?
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide is sourced from PubChem (CID 115881808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).