N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide

C21H22N2O3 — CID 1091906

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-20(24)23(17-7-5-14(2)6-8-17)13-16-11-15-12-18(26-3)9-10-19(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyWATSCFHMRNYSJX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds5

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide (PubChem CID 1091906) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide
PubChem CID1091906
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-20(24)23(17-7-5-14(2)6-8-17)13-16-11-15-12-18(26-3)9-10-19(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyWATSCFHMRNYSJX-UHFFFAOYSA-N
XLogP3.79
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide (CID 1091906) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide is CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide?
The InChIKey is WATSCFHMRNYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-20(24)23(17-7-5-14(2)6-8-17)13-16-11-15-12-18(26-3)9-10-19(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 1091906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).