N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide

C20H20N2O2 — CID 4870400

IUPACN-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C
InChIInChI=1S/C20H20N2O2/c1-4-17(23)21-20-18(14-11-9-13(2)10-12-14)19(24)15-7-5-6-8-16(15)22(20)3/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyWIJAINOOSQJZFW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.86
Rot. Bonds3

About N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide

N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide (PubChem CID 4870400) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
PubChem CID4870400
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C
InChIInChI=1S/C20H20N2O2/c1-4-17(23)21-20-18(14-11-9-13(2)10-12-14)19(24)15-7-5-6-8-16(15)22(20)3/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyWIJAINOOSQJZFW-UHFFFAOYSA-N
XLogP3.86
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The IUPAC name of N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide (CID 4870400) is N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide.
What is the SMILES notation for N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The canonical SMILES for N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide is CCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The InChIKey is WIJAINOOSQJZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-17(23)21-20-18(14-11-9-13(2)10-12-14)19(24)15-7-5-6-8-16(15)22(20)3/h5-12H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide is sourced from PubChem (CID 4870400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).