8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline

C17H10BrF3N2O — CID 118733626

IUPAC8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline
SMILESCn1cc2c3cc(Br)ccc3nc-2c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C17H10BrF3N2O/c1-23-8-13-11-6-9(18)2-4-14(11)22-16(13)12-7-10(3-5-15(12)23)24-17(19,20)21/h2-8H,1H3
InChIKeyLLTBLYQSBMLYLJ-UHFFFAOYSA-N
MW395.18 g/mol
LogP5.49
Rot. Bonds1

About 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline

8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline (PubChem CID 118733626) has the molecular formula C17H10BrF3N2O and a molecular weight of 395.18 g/mol. Its IUPAC name is 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline.

Molecular Properties

Compound Name8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline
PubChem CID118733626
Molecular FormulaC17H10BrF3N2O
Molecular Weight395.18 g/mol
Exact Mass393.99
IUPAC Name8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline
SMILESCn1cc2c3cc(Br)ccc3nc-2c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C17H10BrF3N2O/c1-23-8-13-11-6-9(18)2-4-14(11)22-16(13)12-7-10(3-5-15(12)23)24-17(19,20)21/h2-8H,1H3
InChIKeyLLTBLYQSBMLYLJ-UHFFFAOYSA-N
XLogP5.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.18
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline?
The IUPAC name of 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline (CID 118733626) is 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline.
What is the SMILES notation for 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline?
The canonical SMILES for 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline is Cn1cc2c3cc(Br)ccc3nc-2c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline?
The InChIKey is LLTBLYQSBMLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N2O/c1-23-8-13-11-6-9(18)2-4-14(11)22-16(13)12-7-10(3-5-15(12)23)24-17(19,20)21/h2-8H,1H3.
What are the key properties of 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline?
8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline has a molecular weight of 395.18 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-2-(trifluoromethoxy)indolo[3,2-c]quinoline is sourced from PubChem (CID 118733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).