N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide

C21H22N2O3 — CID 110325904

IUPACN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-14-3-6-18(7-4-14)26-13-20(24)22-10-9-16-12-17-11-15(2)5-8-19(17)23-21(16)25/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJIXCMYXKWDLCFY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110325904) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID110325904
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-14-3-6-18(7-4-14)26-13-20(24)22-10-9-16-12-17-11-15(2)5-8-19(17)23-21(16)25/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJIXCMYXKWDLCFY-UHFFFAOYSA-N
XLogP2.88
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415351
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide (CID 110325904) is N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JIXCMYXKWDLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-3-6-18(7-4-14)26-13-20(24)22-10-9-16-12-17-11-15(2)5-8-19(17)23-21(16)25/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110325904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).