3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide

C23H26N2O — CID 11725197

IUPAC3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
SMILESCCCCCc1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-4-7-18-10-12-19(13-11-18)14-15-23(26)25-21-16-20-8-5-6-9-22(20)24-17-21/h5-6,8-13,16-17H,2-4,7,14-15H2,1H3,(H,25,26)
InChIKeyLJHMKXIKNKCNAC-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.54
Rot. Bonds8

About 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide

3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide (PubChem CID 11725197) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
PubChem CID11725197
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
SMILESCCCCCc1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H26N2O/c1-2-3-4-7-18-10-12-19(13-11-18)14-15-23(26)25-21-16-20-8-5-6-9-22(20)24-17-21/h5-6,8-13,16-17H,2-4,7,14-15H2,1H3,(H,25,26)
InChIKeyLJHMKXIKNKCNAC-UHFFFAOYSA-N
XLogP5.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.54
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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Related Compounds

3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 66815460
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690
N-(4-heptylphenyl)heptanamide
CID 101077737

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide (CID 11725197) is 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide is CCCCCc1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide?
The InChIKey is LJHMKXIKNKCNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-3-4-7-18-10-12-19(13-11-18)14-15-23(26)25-21-16-20-8-5-6-9-22(20)24-17-21/h5-6,8-13,16-17H,2-4,7,14-15H2,1H3,(H,25,26).
What are the key properties of 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide?
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 11725197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).