1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C25H32N2O — CID 66849466

IUPAC1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCCCCCC1C(c2ccc(C)cc2)Nc2ccccc2C1N1CCCC1=O
InChIInChI=1S/C25H32N2O/c1-3-4-5-10-21-24(19-15-13-18(2)14-16-19)26-22-11-7-6-9-20(22)25(21)27-17-8-12-23(27)28/h6-7,9,11,13-16,21,24-26H,3-5,8,10,12,17H2,1-2H3
InChIKeyGGXUTTYKJAGQHU-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.02
Rot. Bonds6

About 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 66849466) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID66849466
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESCCCCCC1C(c2ccc(C)cc2)Nc2ccccc2C1N1CCCC1=O
InChIInChI=1S/C25H32N2O/c1-3-4-5-10-21-24(19-15-13-18(2)14-16-19)26-22-11-7-6-9-20(22)25(21)27-17-8-12-23(27)28/h6-7,9,11,13-16,21,24-26H,3-5,8,10,12,17H2,1-2H3
InChIKeyGGXUTTYKJAGQHU-UHFFFAOYSA-N
XLogP6.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 66849466) is 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is CCCCCC1C(c2ccc(C)cc2)Nc2ccccc2C1N1CCCC1=O.
What is the InChIKey of 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is GGXUTTYKJAGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-4-5-10-21-24(19-15-13-18(2)14-16-19)26-22-11-7-6-9-20(22)25(21)27-17-8-12-23(27)28/h6-7,9,11,13-16,21,24-26H,3-5,8,10,12,17H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 376.54 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-3-pentyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 66849466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).