7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile

C16H7ClFN3O2 — CID 89477900

IUPAC7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile
SMILESN#Cc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1
InChIInChI=1S/C16H7ClFN3O2/c17-15-13(22)4-2-10(18)14(15)16(23)8-1-3-11-12(5-8)21-9(6-19)7-20-11/h1-5,7,22H
InChIKeyFUOCQMLTWSOBTE-UHFFFAOYSA-N
MW327.70 g/mol
LogP3.23
Rot. Bonds2

About 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile

7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile (PubChem CID 89477900) has the molecular formula C16H7ClFN3O2 and a molecular weight of 327.70 g/mol. Its IUPAC name is 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile
PubChem CID89477900
Molecular FormulaC16H7ClFN3O2
Molecular Weight327.70 g/mol
Exact Mass327.02
IUPAC Name7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile
SMILESN#Cc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1
InChIInChI=1S/C16H7ClFN3O2/c17-15-13(22)4-2-10(18)14(15)16(23)8-1-3-11-12(5-8)21-9(6-19)7-20-11/h1-5,7,22H
InChIKeyFUOCQMLTWSOBTE-UHFFFAOYSA-N
XLogP3.23
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile?
The IUPAC name of 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile (CID 89477900) is 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile.
What is the SMILES notation for 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile?
The canonical SMILES for 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile is N#Cc1cnc2ccc(C(=O)c3c(F)ccc(O)c3Cl)cc2n1.
What is the InChIKey of 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile?
The InChIKey is FUOCQMLTWSOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClFN3O2/c17-15-13(22)4-2-10(18)14(15)16(23)8-1-3-11-12(5-8)21-9(6-19)7-20-11/h1-5,7,22H.
What are the key properties of 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile?
7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile has a molecular weight of 327.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile is sourced from PubChem (CID 89477900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).