N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide

C20H20N2O2 — CID 946508

IUPACN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-8-20(24)22(16-9-4-3-5-10-16)14-15-13-19(23)21-18-12-7-6-11-17(15)18/h3-7,9-13H,2,8,14H2,1H3,(H,21,23)
InChIKeyLBCJRGMRQMILPA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.86
Rot. Bonds5

About N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide

N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide (PubChem CID 946508) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide
PubChem CID946508
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide
SMILESCCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-8-20(24)22(16-9-4-3-5-10-16)14-15-13-19(23)21-18-12-7-6-11-17(15)18/h3-7,9-13H,2,8,14H2,1H3,(H,21,23)
InChIKeyLBCJRGMRQMILPA-UHFFFAOYSA-N
XLogP3.86
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide (CID 946508) is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide is CCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide?
The InChIKey is LBCJRGMRQMILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-8-20(24)22(16-9-4-3-5-10-16)14-15-13-19(23)21-18-12-7-6-11-17(15)18/h3-7,9-13H,2,8,14H2,1H3,(H,21,23).
What are the key properties of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide?
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide has a molecular weight of 320.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylbutanamide is sourced from PubChem (CID 946508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).