1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C14H13F3N2 — CID 63351534

IUPAC1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3c(F)cc(F)c(F)c13)CCCCC2
InChIInChI=1S/C14H13F3N2/c15-8-6-9(16)14-11(12(8)17)13(18)7-4-2-1-3-5-10(7)19-14/h6H,1-5H2,(H2,18,19)
InChIKeyJGLMYCDQIOSDFB-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.50
Rot. Bonds

About 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63351534) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63351534
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3c(F)cc(F)c(F)c13)CCCCC2
InChIInChI=1S/C14H13F3N2/c15-8-6-9(16)14-11(12(8)17)13(18)7-4-2-1-3-5-10(7)19-14/h6H,1-5H2,(H2,18,19)
InChIKeyJGLMYCDQIOSDFB-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63351534) is 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is Nc1c2c(nc3c(F)cc(F)c(F)c13)CCCCC2.
What is the InChIKey of 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is JGLMYCDQIOSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-8-6-9(16)14-11(12(8)17)13(18)7-4-2-1-3-5-10(7)19-14/h6H,1-5H2,(H2,18,19).
What are the key properties of 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 266.27 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63351534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).