4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C14H18N2 — CID 84740015

IUPAC4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)C(C)CNC1
InChIInChI=1S/C14H18N2/c1-9-4-5-13-11(6-9)12-8-15-7-10(2)14(12)16(13)3/h4-6,10,15H,7-8H2,1-3H3
InChIKeyAYJGDZXUNXVWDV-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.69
Rot. Bonds

About 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 84740015) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID84740015
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)C(C)CNC1
InChIInChI=1S/C14H18N2/c1-9-4-5-13-11(6-9)12-8-15-7-10(2)14(12)16(13)3/h4-6,10,15H,7-8H2,1-3H3
InChIKeyAYJGDZXUNXVWDV-UHFFFAOYSA-N
XLogP2.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 84740015) is 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2C)C(C)CNC1.
What is the InChIKey of 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is AYJGDZXUNXVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-4-5-13-11(6-9)12-8-15-7-10(2)14(12)16(13)3/h4-6,10,15H,7-8H2,1-3H3.
What are the key properties of 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 84740015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).