4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline

C18H17F3N2 — CID 59322889

IUPAC4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C18H17F3N2/c19-18(20,21)12-6-7-15-14(10-12)17-13(8-9-22-17)16(23-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,22-23H,8-9H2
InChIKeyGNKFFDVOGWNIKA-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.52
Rot. Bonds1

About 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline

4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline (PubChem CID 59322889) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
PubChem CID59322889
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C18H17F3N2/c19-18(20,21)12-6-7-15-14(10-12)17-13(8-9-22-17)16(23-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,22-23H,8-9H2
InChIKeyGNKFFDVOGWNIKA-UHFFFAOYSA-N
XLogP4.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline 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-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The IUPAC name of 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline (CID 59322889) is 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline is FC(F)(F)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2.
What is the InChIKey of 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
The InChIKey is GNKFFDVOGWNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2/c19-18(20,21)12-6-7-15-14(10-12)17-13(8-9-22-17)16(23-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,22-23H,8-9H2.
What are the key properties of 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline?
4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline has a molecular weight of 318.34 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 59322889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).