N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

C20H19FN2O3 — CID 110662696

IUPACN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc2cc(CNC(=O)COc3ccccc3F)c(=O)[nH]c2cc1C
InChIInChI=1S/C20H19FN2O3/c1-12-7-14-9-15(20(25)23-17(14)8-13(12)2)10-22-19(24)11-26-18-6-4-3-5-16(18)21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKQQCGHLQKCYJX-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.98
Rot. Bonds5

About N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 110662696) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID110662696
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc2cc(CNC(=O)COc3ccccc3F)c(=O)[nH]c2cc1C
InChIInChI=1S/C20H19FN2O3/c1-12-7-14-9-15(20(25)23-17(14)8-13(12)2)10-22-19(24)11-26-18-6-4-3-5-16(18)21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKQQCGHLQKCYJX-UHFFFAOYSA-N
XLogP2.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-(2,4-dichlorophenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324293
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 110714661
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbut-2-enamide
CID 110616737
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 110662696) is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is Cc1cc2cc(CNC(=O)COc3ccccc3F)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is NKQQCGHLQKCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-7-14-9-15(20(25)23-17(14)8-13(12)2)10-22-19(24)11-26-18-6-4-3-5-16(18)21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 110662696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).