2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid

C18H10ClFN2O2 — CID 118449027

IUPAC2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3c[nH]c4c(Cl)cc(F)cc34)ccc12
InChIInChI=1S/C18H10ClFN2O2/c19-14-7-9(20)6-12-13(8-21-17(12)14)16-5-4-10-11(18(23)24)2-1-3-15(10)22-16/h1-8,21H,(H,23,24)
InChIKeyDMWDITOIBOXHOK-UHFFFAOYSA-N
MW340.74 g/mol
LogP4.87
Rot. Bonds2

About 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid

2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid (PubChem CID 118449027) has the molecular formula C18H10ClFN2O2 and a molecular weight of 340.74 g/mol. Its IUPAC name is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
PubChem CID118449027
Molecular FormulaC18H10ClFN2O2
Molecular Weight340.74 g/mol
Exact Mass340.04
IUPAC Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3c[nH]c4c(Cl)cc(F)cc34)ccc12
InChIInChI=1S/C18H10ClFN2O2/c19-14-7-9(20)6-12-13(8-21-17(12)14)16-5-4-10-11(18(23)24)2-1-3-15(10)22-16/h1-8,21H,(H,23,24)
InChIKeyDMWDITOIBOXHOK-UHFFFAOYSA-N
XLogP4.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid?
The IUPAC name of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid (CID 118449027) is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(-c3c[nH]c4c(Cl)cc(F)cc34)ccc12.
What is the InChIKey of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid?
The InChIKey is DMWDITOIBOXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O2/c19-14-7-9(20)6-12-13(8-21-17(12)14)16-5-4-10-11(18(23)24)2-1-3-15(10)22-16/h1-8,21H,(H,23,24).
What are the key properties of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid?
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid has a molecular weight of 340.74 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 118449027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).