2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline

C20H17F3N2 — CID 23477111

IUPAC2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline
SMILESCc1cc(N2c3ccccc3CC2C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H17F3N2/c1-12-9-19(25-13(2)10-14-5-3-4-6-18(14)25)16-8-7-15(20(21,22)23)11-17(16)24-12/h3-9,11,13H,10H2,1-2H3
InChIKeyKTTOXRBTPNGPJN-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.64
Rot. Bonds1

About 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline

2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline (PubChem CID 23477111) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline
PubChem CID23477111
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline
SMILESCc1cc(N2c3ccccc3CC2C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H17F3N2/c1-12-9-19(25-13(2)10-14-5-3-4-6-18(14)25)16-8-7-15(20(21,22)23)11-17(16)24-12/h3-9,11,13H,10H2,1-2H3
InChIKeyKTTOXRBTPNGPJN-UHFFFAOYSA-N
XLogP5.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline?
The IUPAC name of 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline (CID 23477111) is 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline?
The canonical SMILES for 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline is Cc1cc(N2c3ccccc3CC2C)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline?
The InChIKey is KTTOXRBTPNGPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-12-9-19(25-13(2)10-14-5-3-4-6-18(14)25)16-8-7-15(20(21,22)23)11-17(16)24-12/h3-9,11,13H,10H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline?
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline has a molecular weight of 342.36 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 23477111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).