4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C23H28N2O2 — CID 155539179

IUPAC4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(C2CCCC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H28N2O2/c1-14-8-3-6-11-17(14)25-23(27)20-15(2)24-18-12-7-13-19(26)22(18)21(20)16-9-4-5-10-16/h3,6,8,11,16,21,24H,4-5,7,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyFTXMZBSYRAZADP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.62
Rot. Bonds3

About 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155539179) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155539179
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(C2CCCC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H28N2O2/c1-14-8-3-6-11-17(14)25-23(27)20-15(2)24-18-12-7-13-19(26)22(18)21(20)16-9-4-5-10-16/h3,6,8,11,16,21,24H,4-5,7,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyFTXMZBSYRAZADP-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155539179) is 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(C2CCCC2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is FTXMZBSYRAZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-14-8-3-6-11-17(14)25-23(27)20-15(2)24-18-12-7-13-19(26)22(18)21(20)16-9-4-5-10-16/h3,6,8,11,16,21,24H,4-5,7,9-10,12-13H2,1-2H3,(H,25,27).
What are the key properties of 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155539179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).