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

C20H20N2O2 — CID 939075

IUPACN-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-3-20(24)22(18-11-7-4-8-14(18)2)13-15-12-19(23)21-17-10-6-5-9-16(15)17/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyOMKFAMKLPXXCQM-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.78
Rot. Bonds4

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

N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 939075) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID939075
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-3-20(24)22(18-11-7-4-8-14(18)2)13-15-12-19(23)21-17-10-6-5-9-16(15)17/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyOMKFAMKLPXXCQM-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-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 939075) is N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is OMKFAMKLPXXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-20(24)22(18-11-7-4-8-14(18)2)13-15-12-19(23)21-17-10-6-5-9-16(15)17/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
N-(2-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-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 939075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).