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

C21H22N2O2 — CID 4900317

IUPAC2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
SMILESCc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)21(25)22-20-18(15-11-9-14(3)10-12-15)19(24)16-7-5-6-8-17(16)23(20)4/h5-13H,1-4H3,(H,22,25)
InChIKeyJZTZJXWZXDCPCD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.11
Rot. Bonds3

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

2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide (PubChem CID 4900317) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
PubChem CID4900317
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide
SMILESCc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)21(25)22-20-18(15-11-9-14(3)10-12-15)19(24)16-7-5-6-8-17(16)23(20)4/h5-13H,1-4H3,(H,22,25)
InChIKeyJZTZJXWZXDCPCD-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide (CID 4900317) is 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide is Cc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
The InChIKey is JZTZJXWZXDCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)21(25)22-20-18(15-11-9-14(3)10-12-15)19(24)16-7-5-6-8-17(16)23(20)4/h5-13H,1-4H3,(H,22,25).
What are the key properties of 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide?
2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-methyl-3-(4-methylphenyl)-4-oxoquinolin-2-yl]propanamide is sourced from PubChem (CID 4900317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).