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

C20H20N2O3 — CID 862743

IUPACN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-20(24)22(15-8-10-16(25-2)11-9-15)13-14-12-19(23)21-18-7-5-4-6-17(14)18/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyMBXAMRFVWKGZNM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.48
Rot. Bonds5

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

N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 862743) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID862743
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-20(24)22(15-8-10-16(25-2)11-9-15)13-14-12-19(23)21-18-7-5-4-6-17(14)18/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyMBXAMRFVWKGZNM-UHFFFAOYSA-N
XLogP3.48
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 862743) is N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is MBXAMRFVWKGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-20(24)22(15-8-10-16(25-2)11-9-15)13-14-12-19(23)21-18-7-5-4-6-17(14)18/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 862743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).