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

C21H22N2O2 — CID 858519

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15-8-9-20-18(12-15)13-19(21(25)22-20)14-23(16(2)24)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyGNGVPOZXWOCPHU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds5

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

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 858519) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID858519
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15-8-9-20-18(12-15)13-19(21(25)22-20)14-23(16(2)24)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyGNGVPOZXWOCPHU-UHFFFAOYSA-N
XLogP3.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 1453527
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453507
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453537
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 1459301
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

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide (CID 858519) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is GNGVPOZXWOCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-8-9-20-18(12-15)13-19(21(25)22-20)14-23(16(2)24)11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 858519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).