9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

C16H14ClF3N2O — CID 25195253

IUPAC9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCCc1c(C)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)
InChIKeyOMXGOGXEWUCLFI-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.57
Rot. Bonds2

About 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 25195253) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID25195253
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCCc1c(C)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)F
InChIInChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)
InChIKeyOMXGOGXEWUCLFI-UHFFFAOYSA-N
XLogP4.57
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (CID 25195253) is 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is CCc1c(C)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)F.
What is the InChIKey of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is OMXGOGXEWUCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23).
What are the key properties of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 342.75 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 25195253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).