4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile

C25H16F3N3 — CID 155520431

IUPAC4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCc3cc(-c4cnc5ccccc5c4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C25H16F3N3/c26-25(27,28)22-13-21(7-5-19(22)14-29)31-10-9-18-11-16(6-8-24(18)31)20-12-17-3-1-2-4-23(17)30-15-20/h1-8,11-13,15H,9-10H2
InChIKeySPLRFTGACBODSD-UHFFFAOYSA-N
MW415.42 g/mol
LogP6.49
Rot. Bonds2

About 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile

4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile (PubChem CID 155520431) has the molecular formula C25H16F3N3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile
PubChem CID155520431
Molecular FormulaC25H16F3N3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCc3cc(-c4cnc5ccccc5c4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C25H16F3N3/c26-25(27,28)22-13-21(7-5-19(22)14-29)31-10-9-18-11-16(6-8-24(18)31)20-12-17-3-1-2-4-23(17)30-15-20/h1-8,11-13,15H,9-10H2
InChIKeySPLRFTGACBODSD-UHFFFAOYSA-N
XLogP6.49
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile (CID 155520431) is 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(N2CCc3cc(-c4cnc5ccccc5c4)ccc32)cc1C(F)(F)F.
What is the InChIKey of 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile?
The InChIKey is SPLRFTGACBODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3/c26-25(27,28)22-13-21(7-5-19(22)14-29)31-10-9-18-11-16(6-8-24(18)31)20-12-17-3-1-2-4-23(17)30-15-20/h1-8,11-13,15H,9-10H2.
What are the key properties of 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile?
4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile has a molecular weight of 415.42 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 155520431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).