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

C18H11ClFN3O — CID 118449899

IUPAC2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESNC(=O)c1cccc2nc(-c3c[nH]c4c(Cl)cc(F)cc34)ccc12
InChIInChI=1S/C18H11ClFN3O/c19-14-7-9(20)6-12-13(8-22-17(12)14)16-5-4-10-11(18(21)24)2-1-3-15(10)23-16/h1-8,22H,(H2,21,24)
InChIKeySFIXOLYYXCKWOC-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.27
Rot. Bonds2

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

2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 118449899) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID118449899
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESNC(=O)c1cccc2nc(-c3c[nH]c4c(Cl)cc(F)cc34)ccc12
InChIInChI=1S/C18H11ClFN3O/c19-14-7-9(20)6-12-13(8-22-17(12)14)16-5-4-10-11(18(21)24)2-1-3-15(10)23-16/h1-8,22H,(H2,21,24)
InChIKeySFIXOLYYXCKWOC-UHFFFAOYSA-N
XLogP4.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.27
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-carboxamide?
The IUPAC name of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 118449899) is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide is NC(=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-carboxamide?
The InChIKey is SFIXOLYYXCKWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-14-7-9(20)6-12-13(8-22-17(12)14)16-5-4-10-11(18(21)24)2-1-3-15(10)23-16/h1-8,22H,(H2,21,24).
What are the key properties of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide?
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 339.76 g/mol, XLogP of 4.27, 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-carboxamide is sourced from PubChem (CID 118449899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).