2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide

C20H20N2O2 — CID 46301025

IUPAC2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-3-17(20(24)21-15-9-5-4-6-10-15)22-18-12-8-7-11-16(18)14(2)13-19(22)23/h4-13,17H,3H2,1-2H3,(H,21,24)
InChIKeyRZVCYVPJNRUFOK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide

2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide (PubChem CID 46301025) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
PubChem CID46301025
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1)n1c(=O)cc(C)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-3-17(20(24)21-15-9-5-4-6-10-15)22-18-12-8-7-11-16(18)14(2)13-19(22)23/h4-13,17H,3H2,1-2H3,(H,21,24)
InChIKeyRZVCYVPJNRUFOK-UHFFFAOYSA-N
XLogP3.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide?
The IUPAC name of 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide (CID 46301025) is 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide.
What is the SMILES notation for 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide?
The canonical SMILES for 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide is CCC(C(=O)Nc1ccccc1)n1c(=O)cc(C)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide?
The InChIKey is RZVCYVPJNRUFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-17(20(24)21-15-9-5-4-6-10-15)22-18-12-8-7-11-16(18)14(2)13-19(22)23/h4-13,17H,3H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide?
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide has a molecular weight of 320.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide is sourced from PubChem (CID 46301025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).