N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C20H20N2O2 — CID 858516

IUPACN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C20H20N2O2/c1-14-8-9-19-17(10-14)11-18(20(24)21-19)13-22(15(2)23)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyZEHQKAQZLSMRQU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds4

About N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 858516) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID858516
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C20H20N2O2/c1-14-8-9-19-17(10-14)11-18(20(24)21-19)13-22(15(2)23)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyZEHQKAQZLSMRQU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453507
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 1459301
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 1453527
N-[(4-methylphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]acetamide
CID 3194281
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)acetamide
CID 950393
1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1449396
N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 940174

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 858516) is N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is ZEHQKAQZLSMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-8-9-19-17(10-14)11-18(20(24)21-19)13-22(15(2)23)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 858516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).