5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid

C14H11F3N2O2 — CID 135155539

IUPAC5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1[nH]c2ccccc2c2cccc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10N2.C2HF3O2/c13-12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12;3-2(4,5)1(6)7/h1-7,14H,13H2;(H,6,7)
InChIKeyXQPMIILLILAPDB-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.49
Rot. Bonds

About 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid

5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 135155539) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID135155539
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1[nH]c2ccccc2c2cccc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10N2.C2HF3O2/c13-12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12;3-2(4,5)1(6)7/h1-7,14H,13H2;(H,6,7)
InChIKeyXQPMIILLILAPDB-UHFFFAOYSA-N
XLogP3.49
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 135155539) is 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid is Nc1[nH]c2ccccc2c2cccc1-2.O=C(O)C(F)(F)F.
What is the InChIKey of 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is XQPMIILLILAPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.C2HF3O2/c13-12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12;3-2(4,5)1(6)7/h1-7,14H,13H2;(H,6,7).
What are the key properties of 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 296.25 g/mol, XLogP of 3.49, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135155539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).