6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C23H18F3N3 — CID 10111164

IUPAC6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1c(F)ccc(F)c1F)N2
InChIInChI=1S/C23H18F3N3/c24-16-6-7-17(25)21(26)20(16)22-15-9-11-3-1-2-4-13(11)19(15)14-10-12(23(27)28)5-8-18(14)29-22/h1-8,10,15,19,22,29H,9H2,(H3,27,28)
InChIKeyLVUWHVGLWMWKRB-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.86
Rot. Bonds2

About 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 10111164) has the molecular formula C23H18F3N3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID10111164
Molecular FormulaC23H18F3N3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1c(F)ccc(F)c1F)N2
InChIInChI=1S/C23H18F3N3/c24-16-6-7-17(25)21(26)20(16)22-15-9-11-3-1-2-4-13(11)19(15)14-10-12(23(27)28)5-8-18(14)29-22/h1-8,10,15,19,22,29H,9H2,(H3,27,28)
InChIKeyLVUWHVGLWMWKRB-UHFFFAOYSA-N
XLogP4.86
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 10111164) is 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1c(F)ccc(F)c1F)N2.
What is the InChIKey of 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is LVUWHVGLWMWKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3/c24-16-6-7-17(25)21(26)20(16)22-15-9-11-3-1-2-4-13(11)19(15)14-10-12(23(27)28)5-8-18(14)29-22/h1-8,10,15,19,22,29H,9H2,(H3,27,28).
What are the key properties of 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 393.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 10111164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).