2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile

C17H9FN2O2 — CID 134158360

IUPAC2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(C(=O)c3ccc(F)c(O)c3)nc2c1
InChIInChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H
InChIKeyLDOZUOMHDNDABQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.18
Rot. Bonds2

About 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile

2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile (PubChem CID 134158360) has the molecular formula C17H9FN2O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile
PubChem CID134158360
Molecular FormulaC17H9FN2O2
Molecular Weight292.27 g/mol
Exact Mass292.06
IUPAC Name2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile
SMILESN#Cc1ccc2ccc(C(=O)c3ccc(F)c(O)c3)nc2c1
InChIInChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H
InChIKeyLDOZUOMHDNDABQ-UHFFFAOYSA-N
XLogP3.18
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(2-Fluoranyl-3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 122707109
(4-Fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
CID 134158357
(4-Fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
CID 134158358
(4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(3-Methyl-4-Oxidanyl-Phenyl)pyridin-2-Yl]methanone
CID 135567209
1-[6-Hydroxy-2-(4-hydroxy-phenyl)-quinolin-4-yl]-ethanone
CID 135458129
2-(3-Fluoro-4-hydroxy-phenyl)-6-hydroxy-quinoline-4-carbonitrile
CID 135489088
1-[2-(3-Fluoro-4-hydroxy-phenyl)-6-hydroxy-quinolin-4-yl]-ethanone
CID 135499787
2-(3-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 673729
[6-[3-(Dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
CID 132991415
(4-Fluoro-3-hydroxyphenyl)-[6-(3-hydroxyphenyl)-2-pyridinyl]methanone
CID 132991416
(4-Fluoro-3-hydroxyphenyl)-[6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]methanone
CID 134144942

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile?
The IUPAC name of 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile (CID 134158360) is 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile?
The canonical SMILES for 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile is N#Cc1ccc2ccc(C(=O)c3ccc(F)c(O)c3)nc2c1.
What is the InChIKey of 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile?
The InChIKey is LDOZUOMHDNDABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H.
What are the key properties of 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile?
2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile has a molecular weight of 292.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile is sourced from PubChem (CID 134158360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).