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

C19H12F3N3O — CID 118449732

IUPACN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H12F3N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22/h2-8,24H,1H3,(H,23,26)
InChIKeyYAWGMTHYGMERCM-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.16
Rot. Bonds2

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

N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 118449732) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID118449732
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC NameN-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C19H12F3N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22/h2-8,24H,1H3,(H,23,26)
InChIKeyYAWGMTHYGMERCM-UHFFFAOYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.16
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 N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 118449732) is N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is CNC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.
What is the InChIKey of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is YAWGMTHYGMERCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c1-23-19(26)10-3-2-4-14-9(10)5-6-15(25-14)12-8-24-18-11(12)7-13(20)16(21)17(18)22/h2-8,24H,1H3,(H,23,26).
What are the key properties of N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 118449732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).