SPLRFTGACBODSD-UHFFFAOYSA-N

Name: SPLRFTGACBODSD-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₁₆F₃N₃ — CID 155520431

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 SPLRFTGACBODSD-UHFFFAOYSA-N

SPLRFTGACBODSD-UHFFFAOYSA-N (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 Name	SPLRFTGACBODSD-UHFFFAOYSA-N
PubChem CID	155520431
Molecular Formula	C₂₅H₁₆F₃N₃
Molecular Weight	415.42 g/mol
Exact Mass	415.13
IUPAC Name	4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile
SMILES	N#Cc1ccc(N2CCc3cc(-c4cnc5ccccc5c4)ccc32)cc1C(F)(F)F
InChI	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
InChIKey	SPLRFTGACBODSD-UHFFFAOYSA-N
XLogP	6.49
TPSA	39.92 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.42
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of SPLRFTGACBODSD-UHFFFAOYSA-N?

The IUPAC name of SPLRFTGACBODSD-UHFFFAOYSA-N (CID 155520431) is 4-(5-quinolin-3-yl-2,3-dihydroindol-1-yl)-2-(trifluoromethyl)benzonitrile.

What is the SMILES notation for SPLRFTGACBODSD-UHFFFAOYSA-N?

The canonical SMILES for SPLRFTGACBODSD-UHFFFAOYSA-N is N#Cc1ccc(N2CCc3cc(-c4cnc5ccccc5c4)ccc32)cc1C(F)(F)F.

What is the InChIKey of SPLRFTGACBODSD-UHFFFAOYSA-N?

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 SPLRFTGACBODSD-UHFFFAOYSA-N?

SPLRFTGACBODSD-UHFFFAOYSA-N 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 SPLRFTGACBODSD-UHFFFAOYSA-N is sourced from PubChem (CID 155520431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155520431 — identifiers, structure, computed properties (public domain)

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