N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide

C18H22N2O2 — CID 71849712

IUPACN-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2(C)CO)c2ccccc2n1
InChIInChI=1S/C18H22N2O2/c1-12-10-14(13-6-3-4-7-15(13)19-12)17(22)20-16-8-5-9-18(16,2)11-21/h3-4,6-7,10,16,21H,5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyKXGLMCKLEANABP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.82
Rot. Bonds3

About N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide

N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide (PubChem CID 71849712) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
PubChem CID71849712
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2(C)CO)c2ccccc2n1
InChIInChI=1S/C18H22N2O2/c1-12-10-14(13-6-3-4-7-15(13)19-12)17(22)20-16-8-5-9-18(16,2)11-21/h3-4,6-7,10,16,21H,5,8-9,11H2,1-2H3,(H,20,22)
InChIKeyKXGLMCKLEANABP-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
CID 79869850
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
CID 109399464
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide (CID 71849712) is N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCC2(C)CO)c2ccccc2n1.
What is the InChIKey of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide?
The InChIKey is KXGLMCKLEANABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-10-14(13-6-3-4-7-15(13)19-12)17(22)20-16-8-5-9-18(16,2)11-21/h3-4,6-7,10,16,21H,5,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide?
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 71849712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).