3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one

C18H19F3N2O — CID 10759291

IUPAC3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCCC1(C)CC3
InChIInChI=1S/C18H19F3N2O/c1-17-5-3-7-23(17)14-10-15-12(8-11(14)4-6-17)13(18(19,20)21)9-16(24)22(15)2/h8-10H,3-7H2,1-2H3
InChIKeyORGKYZVJZBDUGT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.86
Rot. Bonds

About 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one

3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one (PubChem CID 10759291) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one.

Molecular Properties

Compound Name3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one
PubChem CID10759291
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCCC1(C)CC3
InChIInChI=1S/C18H19F3N2O/c1-17-5-3-7-23(17)14-10-15-12(8-11(14)4-6-17)13(18(19,20)21)9-16(24)22(15)2/h8-10H,3-7H2,1-2H3
InChIKeyORGKYZVJZBDUGT-UHFFFAOYSA-N
XLogP3.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one with MolForge

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Launch Full Analysis

Related Compounds

LG-121071
CID 9839132
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 9948117
6,8,8-trimethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[3,2-g]quinolin-2(1H)-one
CID 10518992
(2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tetrahydro-pyrrolo[3,2-g]quinolin-7-one
CID 9993897
Cis-(4aR,12bS)-11-Trifluoromethyl-2,3,4,4a,5,6,8,12b-octahydro-1H-6,8-diaza-benzo[a]anthracen-9-one
CID 10358742
(7S,8R)-7,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10448918
(7S,8R)-7-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10470625
6,7,7,8,8-Pentamethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10520975
1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10567979
8-Methyl-8-propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10567980
1,6,8,8,10-Pentamethyl-4-trifluoromethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10568861

Frequently Asked Questions

What is the IUPAC name of 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one?
The IUPAC name of 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one (CID 10759291) is 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one.
What is the SMILES notation for 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one?
The canonical SMILES for 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one is Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCCC1(C)CC3.
What is the InChIKey of 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one?
The InChIKey is ORGKYZVJZBDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-17-5-3-7-23(17)14-10-15-12(8-11(14)4-6-17)13(18(19,20)21)9-16(24)22(15)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one?
3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one has a molecular weight of 336.36 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,10-dimethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-indolizino[6,5-g]quinolin-9-one is sourced from PubChem (CID 10759291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).