6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

C18H13F3N2O2 — CID 143184569

IUPAC6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccc(OC(F)(F)F)cc3)n(C)c2c1
InChIInChI=1S/C18H13F3N2O2/c1-23-16-9-13(24-2)7-8-14(16)15(10-22)17(23)11-3-5-12(6-4-11)25-18(19,20)21/h3-9H,1-2H3
InChIKeyQOIBDINLADRZKM-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.62
Rot. Bonds3

About 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (PubChem CID 143184569) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
PubChem CID143184569
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccc(OC(F)(F)F)cc3)n(C)c2c1
InChIInChI=1S/C18H13F3N2O2/c1-23-16-9-13(24-2)7-8-14(16)15(10-22)17(23)11-3-5-12(6-4-11)25-18(19,20)21/h3-9H,1-2H3
InChIKeyQOIBDINLADRZKM-UHFFFAOYSA-N
XLogP4.62
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
CID 143184099
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-6-methoxy-1-methylindole-3-carbonitrile
CID 143183947
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
CID 143509596
1-ethyl-2-[4-(hydroperoxymethylamino)phenyl]-6-(trifluoromethoxy)indole-3-carbonitrile
CID 143511546
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
CID 58694164
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
3-chloro-2-(4-methoxyphenyl)-1-methylindole-5,6-dicarbonitrile
CID 118727528
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The IUPAC name of 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (CID 143184569) is 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The canonical SMILES for 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is COc1ccc2c(C#N)c(-c3ccc(OC(F)(F)F)cc3)n(C)c2c1.
What is the InChIKey of 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
The InChIKey is QOIBDINLADRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-23-16-9-13(24-2)7-8-14(16)15(10-22)17(23)11-3-5-12(6-4-11)25-18(19,20)21/h3-9H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile has a molecular weight of 346.31 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 143184569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).