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

C17H18ClF3N2 — CID 141151049

IUPAC9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CCC(F)(F)F
InChIInChI=1S/C17H18ClF3N2/c1-3-13-10(2)15-14(23(13)9-7-17(19,20)21)5-4-12-16(15)11(18)6-8-22-12/h4-6,8,13,22H,3,7,9H2,1-2H3
InChIKeyMAPBOSMZRMUCHB-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.69
Rot. Bonds3

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

9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline (PubChem CID 141151049) has the molecular formula C17H18ClF3N2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline
PubChem CID141151049
Molecular FormulaC17H18ClF3N2
Molecular Weight342.79 g/mol
Exact Mass342.11
IUPAC Name9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CCC(F)(F)F
InChIInChI=1S/C17H18ClF3N2/c1-3-13-10(2)15-14(23(13)9-7-17(19,20)21)5-4-12-16(15)11(18)6-8-22-12/h4-6,8,13,22H,3,7,9H2,1-2H3
InChIKeyMAPBOSMZRMUCHB-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.69
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-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The IUPAC name of 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline (CID 141151049) is 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline.
What is the SMILES notation for 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The canonical SMILES for 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline is CCC1C(C)=c2c(ccc3c2=C(Cl)C=CN3)N1CCC(F)(F)F.
What is the InChIKey of 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The InChIKey is MAPBOSMZRMUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2/c1-3-13-10(2)15-14(23(13)9-7-17(19,20)21)5-4-12-16(15)11(18)6-8-22-12/h4-6,8,13,22H,3,7,9H2,1-2H3.
What are the key properties of 9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
9-chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline has a molecular weight of 342.79 g/mol, XLogP of 3.69, 3 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-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline is sourced from PubChem (CID 141151049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).