N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide

C16H16FN3O3 — CID 71980215

IUPACN-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H16FN3O3/c1-23-8-7-20(6-2-5-18)16(22)13-10-15(21)19-14-9-11(17)3-4-12(13)14/h3-4,9-10H,2,6-8H2,1H3,(H,19,21)
InChIKeyCSCVGJDXWQOZOD-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.67
Rot. Bonds6

About N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide

N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 71980215) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID71980215
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H16FN3O3/c1-23-8-7-20(6-2-5-18)16(22)13-10-15(21)19-14-9-11(17)3-4-12(13)14/h3-4,9-10H,2,6-8H2,1H3,(H,19,21)
InChIKeyCSCVGJDXWQOZOD-UHFFFAOYSA-N
XLogP1.67
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
N-(cyanomethyl)-2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 136557680
7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 154861473
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 56794202
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide (CID 71980215) is N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide is COCCN(CCC#N)C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is CSCVGJDXWQOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-23-8-7-20(6-2-5-18)16(22)13-10-15(21)19-14-9-11(17)3-4-12(13)14/h3-4,9-10H,2,6-8H2,1H3,(H,19,21).
What are the key properties of N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 71980215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).