3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline

C18H13F3N2O — CID 166447670

IUPAC3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)c1c(C)c3ccccc3n12
InChIInChI=1S/C18H13F3N2O/c1-10-12-5-3-4-6-14(12)23-15-8-7-11(24-2)9-13(15)22-17(16(10)23)18(19,20)21/h3-9H,1-2H3
InChIKeyDTUOIIOVWORCHW-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.98
Rot. Bonds1

About 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline

3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline (PubChem CID 166447670) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline
PubChem CID166447670
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)c1c(C)c3ccccc3n12
InChIInChI=1S/C18H13F3N2O/c1-10-12-5-3-4-6-14(12)23-15-8-7-11(24-2)9-13(15)22-17(16(10)23)18(19,20)21/h3-9H,1-2H3
InChIKeyDTUOIIOVWORCHW-UHFFFAOYSA-N
XLogP4.98
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
CID 139091933
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
5-methoxy-10-methyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 134951782
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
9-methoxyindolo[1,2-a]quinoxaline
CID 46177682
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
9-methyl-2,13,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 177119953
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
CID 88861626

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline?
The IUPAC name of 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline (CID 166447670) is 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline?
The canonical SMILES for 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline is COc1ccc2c(c1)nc(C(F)(F)F)c1c(C)c3ccccc3n12.
What is the InChIKey of 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline?
The InChIKey is DTUOIIOVWORCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-10-12-5-3-4-6-14(12)23-15-8-7-11(24-2)9-13(15)22-17(16(10)23)18(19,20)21/h3-9H,1-2H3.
What are the key properties of 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline?
3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline has a molecular weight of 330.31 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-methyl-6-(trifluoromethyl)indolo[1,2-a]quinoxaline is sourced from PubChem (CID 166447670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).