N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide

C22H24N2O2 — CID 930030

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
SMILESCCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-4-6-21(25)24(19-8-5-7-15(2)11-19)14-18-13-17-10-9-16(3)12-20(17)23-22(18)26/h5,7-13H,4,6,14H2,1-3H3,(H,23,26)
InChIKeyTVLYMMWJLURZOI-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.48
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide (PubChem CID 930030) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
PubChem CID930030
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
SMILESCCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C22H24N2O2/c1-4-6-21(25)24(19-8-5-7-15(2)11-19)14-18-13-17-10-9-16(3)12-20(17)23-22(18)26/h5,7-13H,4,6,14H2,1-3H3,(H,23,26)
InChIKeyTVLYMMWJLURZOI-UHFFFAOYSA-N
XLogP4.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide (CID 930030) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide is CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide?
The InChIKey is TVLYMMWJLURZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-6-21(25)24(19-8-5-7-15(2)11-19)14-18-13-17-10-9-16(3)12-20(17)23-22(18)26/h5,7-13H,4,6,14H2,1-3H3,(H,23,26).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide has a molecular weight of 348.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 930030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).