2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

C18H26N2O — CID 107413528

IUPAC2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC1CCC(CNC(=O)C2Cc3ccccc3NC2C)C1
InChIInChI=1S/C18H26N2O/c1-12-7-8-14(9-12)11-19-18(21)16-10-15-5-3-4-6-17(15)20-13(16)2/h3-6,12-14,16,20H,7-11H2,1-2H3,(H,19,21)
InChIKeyBSHYODROOINWOY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 107413528) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID107413528
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC1CCC(CNC(=O)C2Cc3ccccc3NC2C)C1
InChIInChI=1S/C18H26N2O/c1-12-7-8-14(9-12)11-19-18(21)16-10-15-5-3-4-6-17(15)20-13(16)2/h3-6,12-14,16,20H,7-11H2,1-2H3,(H,19,21)
InChIKeyBSHYODROOINWOY-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 103461945
N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
CID 83015584
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
6-[(3-methylcyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107411349
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
(3-methylcyclopentyl)methylurea
CID 20542807
(2S)-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163649
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 107413528) is 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is CC1CCC(CNC(=O)C2Cc3ccccc3NC2C)C1.
What is the InChIKey of 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is BSHYODROOINWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-7-8-14(9-12)11-19-18(21)16-10-15-5-3-4-6-17(15)20-13(16)2/h3-6,12-14,16,20H,7-11H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 107413528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).