2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C18H20N2O — CID 24697418

IUPAC2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O/c1-12-7-9-14(10-8-12)20-18(21)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-10,13,16,19H,11H2,1-2H3,(H,20,21)
InChIKeyBPEARTZMFMFFGF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.92
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 24697418) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID24697418
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O/c1-12-7-9-14(10-8-12)20-18(21)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-10,13,16,19H,11H2,1-2H3,(H,20,21)
InChIKeyBPEARTZMFMFFGF-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 83120583
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 93290068
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43311061
N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24695751
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 62117471
N-(1-methoxypropan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24693133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 24697418) is 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is Cc1ccc(NC(=O)C2CC(C)Nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is BPEARTZMFMFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-7-9-14(10-8-12)20-18(21)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-10,13,16,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 24697418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).