4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one

C13H13F3N2O — CID 22218181

IUPAC4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
SMILESO=C1CC(C(F)(F)F)=C2CC3NCCC=C3C=C2N1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)9-6-12(19)18-11-4-7-2-1-3-17-10(7)5-8(9)11/h2,4,10,17H,1,3,5-6H2,(H,18,19)
InChIKeyWOYTYVSCZMASFI-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.94
Rot. Bonds

About 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one

4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one (PubChem CID 22218181) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
PubChem CID22218181
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
SMILESO=C1CC(C(F)(F)F)=C2CC3NCCC=C3C=C2N1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)9-6-12(19)18-11-4-7-2-1-3-17-10(7)5-8(9)11/h2,4,10,17H,1,3,5-6H2,(H,18,19)
InChIKeyWOYTYVSCZMASFI-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one (CID 22218181) is 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one is O=C1CC(C(F)(F)F)=C2CC3NCCC=C3C=C2N1.
What is the InChIKey of 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The InChIKey is WOYTYVSCZMASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)9-6-12(19)18-11-4-7-2-1-3-17-10(7)5-8(9)11/h2,4,10,17H,1,3,5-6H2,(H,18,19).
What are the key properties of 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one has a molecular weight of 270.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one is sourced from PubChem (CID 22218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).