8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide

C19H11ClF3N3O — CID 118449740

IUPAC8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H11ClF3N3O/c1-24-19(27)9-2-4-12(20)17-8(9)3-5-14(26-17)11-7-25-18-10(11)6-13(21)15(22)16(18)23/h2-7,25H,1H3,(H,24,27)
InChIKeyAAMSEJXTWIQJGC-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.81
Rot. Bonds2

About 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide

8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 118449740) has the molecular formula C19H11ClF3N3O and a molecular weight of 389.76 g/mol. Its IUPAC name is 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound Name8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID118449740
Molecular FormulaC19H11ClF3N3O
Molecular Weight389.76 g/mol
Exact Mass389.05
IUPAC Name8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H11ClF3N3O/c1-24-19(27)9-2-4-12(20)17-8(9)3-5-14(26-17)11-7-25-18-10(11)6-13(21)15(22)16(18)23/h2-7,25H,1H3,(H,24,27)
InChIKeyAAMSEJXTWIQJGC-UHFFFAOYSA-N
XLogP4.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 118449740) is 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is CNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.
What is the InChIKey of 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is AAMSEJXTWIQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O/c1-24-19(27)9-2-4-12(20)17-8(9)3-5-14(26-17)11-7-25-18-10(11)6-13(21)15(22)16(18)23/h2-7,25H,1H3,(H,24,27).
What are the key properties of 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 389.76 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 118449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).