9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline

C16H16ClF3N2 — CID 141151028

IUPAC9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CC(F)(F)F
InChIInChI=1S/C16H16ClF3N2/c1-3-12-9(2)14-13(22(12)8-16(18,19)20)5-4-11-15(14)10(17)6-7-21-11/h4-7,12,21H,3,8H2,1-2H3
InChIKeyLRYSAZIWVLVXOV-UHFFFAOYSA-N
MW328.77 g/mol
LogP3.30
Rot. Bonds2

About 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline

9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline (PubChem CID 141151028) has the molecular formula C16H16ClF3N2 and a molecular weight of 328.77 g/mol. Its IUPAC name is 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
PubChem CID141151028
Molecular FormulaC16H16ClF3N2
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CC(F)(F)F
InChIInChI=1S/C16H16ClF3N2/c1-3-12-9(2)14-13(22(12)8-16(18,19)20)5-4-11-15(14)10(17)6-7-21-11/h4-7,12,21H,3,8H2,1-2H3
InChIKeyLRYSAZIWVLVXOV-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The IUPAC name of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline (CID 141151028) is 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline.
What is the SMILES notation for 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The canonical SMILES for 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline is CCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CC(F)(F)F.
What is the InChIKey of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The InChIKey is LRYSAZIWVLVXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2/c1-3-12-9(2)14-13(22(12)8-16(18,19)20)5-4-11-15(14)10(17)6-7-21-11/h4-7,12,21H,3,8H2,1-2H3.
What are the key properties of 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline has a molecular weight of 328.77 g/mol, XLogP of 3.30, 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)-2,6-dihydropyrrolo[3,2-f]quinoline is sourced from PubChem (CID 141151028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).