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

C21H22N2O2 — CID 947598

IUPAC2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)C(C)C
InChIInChI=1S/C21H22N2O2/c1-14(2)21(25)23(19-11-7-4-8-15(19)3)13-16-12-20(24)22-18-10-6-5-9-17(16)18/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyWELRNLADKYFIEZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.03
Rot. Bonds4

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

2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 947598) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID947598
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)C(C)C
InChIInChI=1S/C21H22N2O2/c1-14(2)21(25)23(19-11-7-4-8-15(19)3)13-16-12-20(24)22-18-10-6-5-9-17(16)18/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyWELRNLADKYFIEZ-UHFFFAOYSA-N
XLogP4.03
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 947598) is 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is Cc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is WELRNLADKYFIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(2)21(25)23(19-11-7-4-8-15(19)3)13-16-12-20(24)22-18-10-6-5-9-17(16)18/h4-12,14H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 947598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).