1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline

C18H19F3N2 — CID 141151053

IUPAC1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCC(C)=CN1c2ccc3c(c2=C(C)C1C)=C(C(F)(F)F)C=CN3
InChIInChI=1S/C18H19F3N2/c1-10(2)9-23-12(4)11(3)16-15(23)6-5-14-17(16)13(7-8-22-14)18(19,20)21/h5-9,12,22H,1-4H3
InChIKeyWITUTKYVLHZDHC-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.64
Rot. Bonds1

About 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline

1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline (PubChem CID 141151053) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
PubChem CID141151053
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
SMILESCC(C)=CN1c2ccc3c(c2=C(C)C1C)=C(C(F)(F)F)C=CN3
InChIInChI=1S/C18H19F3N2/c1-10(2)9-23-12(4)11(3)16-15(23)6-5-14-17(16)13(7-8-22-14)18(19,20)21/h5-9,12,22H,1-4H3
InChIKeyWITUTKYVLHZDHC-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The IUPAC name of 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline (CID 141151053) is 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The canonical SMILES for 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline is CC(C)=CN1c2ccc3c(c2=C(C)C1C)=C(C(F)(F)F)C=CN3.
What is the InChIKey of 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
The InChIKey is WITUTKYVLHZDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-10(2)9-23-12(4)11(3)16-15(23)6-5-14-17(16)13(7-8-22-14)18(19,20)21/h5-9,12,22H,1-4H3.
What are the key properties of 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline?
1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline has a molecular weight of 320.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylprop-1-enyl)-9-(trifluoromethyl)-2,6-dihydropyrrolo[3,2-f]quinoline is sourced from PubChem (CID 141151053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).