N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide

C20H22N2O3 — CID 110781704

IUPACN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-18(14)25-13-19(23)21-12-15-7-9-17-16(11-15)8-10-20(24)22(17)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyURMUWEJIHPKHOQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 110781704) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID110781704
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-18(14)25-13-19(23)21-12-15-7-9-17-16(11-15)8-10-20(24)22(17)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyURMUWEJIHPKHOQ-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
2-(2-fluorophenoxy)-N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]acetamide
CID 110788587
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 110781704) is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCc1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is URMUWEJIHPKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-3-4-6-18(14)25-13-19(23)21-12-15-7-9-17-16(11-15)8-10-20(24)22(17)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110781704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).