N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H22N2O3 — CID 31641805

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)25-12-11-22(2)20(24)16-5-9-18-15(13-16)6-10-19(23)21-18/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,23)
InChIKeyGQOSOEJQGLJFIG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 31641805) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID31641805
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)25-12-11-22(2)20(24)16-5-9-18-15(13-16)6-10-19(23)21-18/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,23)
InChIKeyGQOSOEJQGLJFIG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103160
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70047920
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 31641805) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is Cc1ccc(OCCN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is GQOSOEJQGLJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-3-7-17(8-4-14)25-12-11-22(2)20(24)16-5-9-18-15(13-16)6-10-19(23)21-18/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 31641805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).