N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide

C22H23N3O2 — CID 166256696

IUPACN-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESN#CCCCC(NC(=O)CC1CC(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-13-7-6-11-19(16-8-2-1-3-9-16)24-21(26)14-17-15-22(27)25-20-12-5-4-10-18(17)20/h1-5,8-10,12,17,19H,6-7,11,14-15H2,(H,24,26)(H,25,27)
InChIKeyHCWRJNQYLGSCOO-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.05
Rot. Bonds7

About N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide

N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide (PubChem CID 166256696) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
PubChem CID166256696
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESN#CCCCC(NC(=O)CC1CC(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-13-7-6-11-19(16-8-2-1-3-9-16)24-21(26)14-17-15-22(27)25-20-12-5-4-10-18(17)20/h1-5,8-10,12,17,19H,6-7,11,14-15H2,(H,24,26)(H,25,27)
InChIKeyHCWRJNQYLGSCOO-UHFFFAOYSA-N
XLogP4.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The IUPAC name of N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide (CID 166256696) is N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide is N#CCCCC(NC(=O)CC1CC(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The InChIKey is HCWRJNQYLGSCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-13-7-6-11-19(16-8-2-1-3-9-16)24-21(26)14-17-15-22(27)25-20-12-5-4-10-18(17)20/h1-5,8-10,12,17,19H,6-7,11,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylbutyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide is sourced from PubChem (CID 166256696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).