N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide

C19H20N2O2 — CID 3596631

IUPACN-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
SMILESO=C(CCC1CC(=O)Nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(20-13-14-6-2-1-3-7-14)11-10-15-12-19(23)21-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H,20,22)(H,21,23)
InChIKeyKAPMGKBCDUYLFE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide

N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide (PubChem CID 3596631) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
PubChem CID3596631
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
SMILESO=C(CCC1CC(=O)Nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(20-13-14-6-2-1-3-7-14)11-10-15-12-19(23)21-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H,20,22)(H,21,23)
InChIKeyKAPMGKBCDUYLFE-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The IUPAC name of N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide (CID 3596631) is N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The canonical SMILES for N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide is O=C(CCC1CC(=O)Nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The InChIKey is KAPMGKBCDUYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(20-13-14-6-2-1-3-7-14)11-10-15-12-19(23)21-17-9-5-4-8-16(15)17/h1-9,15H,10-13H2,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide is sourced from PubChem (CID 3596631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).