4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one

C13H13F3N2O — CID 69330190

IUPAC4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)C=C1CCCNC1C2
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/h4,6,10,17H,1-3,5H2,(H,18,19)
InChIKeyFQRDRHXVRLHXED-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.09
Rot. Bonds

About 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one

4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one (PubChem CID 69330190) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
PubChem CID69330190
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)C=C1CCCNC1C2
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/h4,6,10,17H,1-3,5H2,(H,18,19)
InChIKeyFQRDRHXVRLHXED-UHFFFAOYSA-N
XLogP2.09
TPSA44.89 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one with MolForge

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Related Compounds

4-(trifluoromethyl)-3,5,5a,6,7,8-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 22218181
7,7,9-Trimethyl-4-(trifluoromethyl)-1,5,6,6a-tetrahydro-1,7-phenanthrolin-7-ium-2-one
CID 87468325
5-Amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 129078756
5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504598
5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504691
4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 168966807
5-(3,3,3-trifluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107584
5-(2,2,2-trifluoroethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109227
5-(4,4,4-trifluorobutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81343566
5-(4,4,4-trifluorobutan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103779469
5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 106210878
5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 106290057

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one (CID 69330190) is 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one is O=c1cc(C(F)(F)F)c2c([nH]1)C=C1CCCNC1C2.
What is the InChIKey of 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
The InChIKey is FQRDRHXVRLHXED-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/h4,6,10,17H,1-3,5H2,(H,18,19).
What are the key properties of 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one?
4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one has a molecular weight of 270.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one is sourced from PubChem (CID 69330190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).