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

C20H12F5N3O — CID 164615514

IUPACN-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESO=C(NCC(F)F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C20H12F5N3O/c21-13-6-11-12(7-26-19(11)18(25)17(13)24)15-5-4-9-10(2-1-3-14(9)28-15)20(29)27-8-16(22)23/h1-7,16,26H,8H2,(H,27,29)
InChIKeyAUYBVTGNIFEQKZ-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.80
Rot. Bonds4

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

N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 164615514) has the molecular formula C20H12F5N3O and a molecular weight of 405.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID164615514
Molecular FormulaC20H12F5N3O
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC NameN-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESO=C(NCC(F)F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C20H12F5N3O/c21-13-6-11-12(7-26-19(11)18(25)17(13)24)15-5-4-9-10(2-1-3-14(9)28-15)20(29)27-8-16(22)23/h1-7,16,26H,8H2,(H,27,29)
InChIKeyAUYBVTGNIFEQKZ-UHFFFAOYSA-N
XLogP4.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 164616875
1-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160782222
2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 118449048
2-(5,6-difluoro-1H-indol-3-yl)-N-iodoquinoline-5-carboxamide
CID 118449913
2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 126503010
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline-5-carboxylic acid
CID 118449027
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
CID 118449738
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 118449725
5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline
CID 171470429
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
N-(2,2-difluoroethyl)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 166323719

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 164615514) is N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is O=C(NCC(F)F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is AUYBVTGNIFEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N3O/c21-13-6-11-12(7-26-19(11)18(25)17(13)24)15-5-4-9-10(2-1-3-14(9)28-15)20(29)27-8-16(22)23/h1-7,16,26H,8H2,(H,27,29).
What are the key properties of N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 164615514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).