4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile

C18H13FN2O3 — CID 47044616

IUPAC4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1
InChIInChI=1S/C18H13FN2O3/c19-15-8-16-12(3-6-18(23)21-16)7-14(15)17(22)10-24-13-4-1-11(9-20)2-5-13/h1-2,4-5,7-8H,3,6,10H2,(H,21,23)
InChIKeyQCYNYKBQWCIREH-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.84
Rot. Bonds4

About 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile

4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile (PubChem CID 47044616) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
PubChem CID47044616
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1
InChIInChI=1S/C18H13FN2O3/c19-15-8-16-12(3-6-18(23)21-16)7-14(15)17(22)10-24-13-4-1-11(9-20)2-5-13/h1-2,4-5,7-8H,3,6,10H2,(H,21,23)
InChIKeyQCYNYKBQWCIREH-UHFFFAOYSA-N
XLogP2.84
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile with MolForge

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Related Compounds

7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 60518431
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 9487265
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
6-[2-(3,4-dimethylphenyl)sulfanylacetyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 71894605
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile (CID 47044616) is 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile is N#Cc1ccc(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc1.
What is the InChIKey of 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is QCYNYKBQWCIREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-15-8-16-12(3-6-18(23)21-16)7-14(15)17(22)10-24-13-4-1-11(9-20)2-5-13/h1-2,4-5,7-8H,3,6,10H2,(H,21,23).
What are the key properties of 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile?
4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 324.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 47044616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).