6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C24H19F4N3 — CID 22633154

IUPAC6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(F)cc1C(F)(F)F)N2
InChIInChI=1S/C24H19F4N3/c25-14-6-7-16(19(11-14)24(26,27)28)22-18-9-12-3-1-2-4-15(12)21(18)17-10-13(23(29)30)5-8-20(17)31-22/h1-8,10-11,18,21-22,31H,9H2,(H3,29,30)
InChIKeyZHOYPXFVBBIYKX-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.60
Rot. Bonds2

About 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 22633154) has the molecular formula C24H19F4N3 and a molecular weight of 425.43 g/mol. Its IUPAC name is 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID22633154
Molecular FormulaC24H19F4N3
Molecular Weight425.43 g/mol
Exact Mass425.15
IUPAC Name6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(F)cc1C(F)(F)F)N2
InChIInChI=1S/C24H19F4N3/c25-14-6-7-16(19(11-14)24(26,27)28)22-18-9-12-3-1-2-4-15(12)21(18)17-10-13(23(29)30)5-8-20(17)31-22/h1-8,10-11,18,21-22,31H,9H2,(H3,29,30)
InChIKeyZHOYPXFVBBIYKX-UHFFFAOYSA-N
XLogP5.60
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide 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 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 22633154) is 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(F)cc1C(F)(F)F)N2.
What is the InChIKey of 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is ZHOYPXFVBBIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3/c25-14-6-7-16(19(11-14)24(26,27)28)22-18-9-12-3-1-2-4-15(12)21(18)17-10-13(23(29)30)5-8-20(17)31-22/h1-8,10-11,18,21-22,31H,9H2,(H3,29,30).
What are the key properties of 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 425.43 g/mol, XLogP of 5.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 22633154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).