9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole

C20H15F3N2 — CID 146445478

IUPAC9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole
SMILESCn1c2ccccc2c2c(Cc3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C20H15F3N2/c1-25-17-5-3-2-4-16(17)19-14(11-24-12-18(19)25)10-13-6-8-15(9-7-13)20(21,22)23/h2-9,11-12H,10H2,1H3
InChIKeyWVOVNLOMFMGBEU-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.34
Rot. Bonds2

About 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole

9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole (PubChem CID 146445478) has the molecular formula C20H15F3N2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole
PubChem CID146445478
Molecular FormulaC20H15F3N2
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole
SMILESCn1c2ccccc2c2c(Cc3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C20H15F3N2/c1-25-17-5-3-2-4-16(17)19-14(11-24-12-18(19)25)10-13-6-8-15(9-7-13)20(21,22)23/h2-9,11-12H,10H2,1H3
InChIKeyWVOVNLOMFMGBEU-UHFFFAOYSA-N
XLogP5.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole?
The IUPAC name of 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole (CID 146445478) is 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole is Cn1c2ccccc2c2c(Cc3ccc(C(F)(F)F)cc3)cncc21.
What is the InChIKey of 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole?
The InChIKey is WVOVNLOMFMGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2/c1-25-17-5-3-2-4-16(17)19-14(11-24-12-18(19)25)10-13-6-8-15(9-7-13)20(21,22)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole?
9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole has a molecular weight of 340.35 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole is sourced from PubChem (CID 146445478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).