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

C17H25N3O — CID 106026291

IUPAC2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC1Nc2ccccc2CC1C(=O)NCC1CCCN1C
InChIInChI=1S/C17H25N3O/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)18-11-14-7-5-9-20(14)2/h3-4,6,8,12,14-15,19H,5,7,9-11H2,1-2H3,(H,18,21)
InChIKeyKZZGYGBDHLOPIP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.87
Rot. Bonds3

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

2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106026291) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106026291
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC1Nc2ccccc2CC1C(=O)NCC1CCCN1C
InChIInChI=1S/C17H25N3O/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)18-11-14-7-5-9-20(14)2/h3-4,6,8,12,14-15,19H,5,7,9-11H2,1-2H3,(H,18,21)
InChIKeyKZZGYGBDHLOPIP-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107413528
N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119860698
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
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24702827
cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106026291) is 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is CC1Nc2ccccc2CC1C(=O)NCC1CCCN1C.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is KZZGYGBDHLOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)18-11-14-7-5-9-20(14)2/h3-4,6,8,12,14-15,19H,5,7,9-11H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106026291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).