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

C20H20N2O2 — CID 941594

IUPACN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C20H20N2O2/c1-3-20(24)22(16-10-8-14(2)9-11-16)13-15-12-19(23)21-18-7-5-4-6-17(15)18/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyYJLBZGYUQPKVLM-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.78
Rot. Bonds4

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

N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 941594) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID941594
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C20H20N2O2/c1-3-20(24)22(16-10-8-14(2)9-11-16)13-15-12-19(23)21-18-7-5-4-6-17(15)18/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyYJLBZGYUQPKVLM-UHFFFAOYSA-N
XLogP3.78
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 941594) is N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is YJLBZGYUQPKVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-20(24)22(16-10-8-14(2)9-11-16)13-15-12-19(23)21-18-7-5-4-6-17(15)18/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 941594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).