4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

C15H14F3NO2 — CID 63351701

IUPAC4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3c(OC(F)(F)F)cccc13)CCCCC2
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-4-6-10-13(12)19-11-7-3-1-2-5-9(11)14(10)20/h4,6,8H,1-3,5,7H2,(H,19,20)
InChIKeyBQWWYMHAFPJJQD-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.70
Rot. Bonds1

About 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (PubChem CID 63351701) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.

Molecular Properties

Compound Name4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
PubChem CID63351701
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3c(OC(F)(F)F)cccc13)CCCCC2
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-4-6-10-13(12)19-11-7-3-1-2-5-9(11)14(10)20/h4,6,8H,1-3,5,7H2,(H,19,20)
InChIKeyBQWWYMHAFPJJQD-UHFFFAOYSA-N
XLogP3.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The IUPAC name of 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (CID 63351701) is 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.
What is the SMILES notation for 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The canonical SMILES for 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is O=c1c2c([nH]c3c(OC(F)(F)F)cccc13)CCCCC2.
What is the InChIKey of 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The InChIKey is BQWWYMHAFPJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-4-6-10-13(12)19-11-7-3-1-2-5-9(11)14(10)20/h4,6,8H,1-3,5,7H2,(H,19,20).
What are the key properties of 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one has a molecular weight of 297.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is sourced from PubChem (CID 63351701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).