3,4,5-trimethylpyrido[4,3-b]indole

C14H14N2 — CID 42598746

IUPAC3,4,5-trimethylpyrido[4,3-b]indole
SMILESCc1ncc2c3ccccc3n(C)c2c1C
InChIInChI=1S/C14H14N2/c1-9-10(2)15-8-12-11-6-4-5-7-13(11)16(3)14(9)12/h4-8H,1-3H3
InChIKeyHFNZHAHJPQMSNY-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.34
Rot. Bonds

About 3,4,5-trimethylpyrido[4,3-b]indole

3,4,5-trimethylpyrido[4,3-b]indole (PubChem CID 42598746) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,4,5-trimethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name3,4,5-trimethylpyrido[4,3-b]indole
PubChem CID42598746
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3,4,5-trimethylpyrido[4,3-b]indole
SMILESCc1ncc2c3ccccc3n(C)c2c1C
InChIInChI=1S/C14H14N2/c1-9-10(2)15-8-12-11-6-4-5-7-13(11)16(3)14(9)12/h4-8H,1-3H3
InChIKeyHFNZHAHJPQMSNY-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylpyrido[4,3-b]indole?
The IUPAC name of 3,4,5-trimethylpyrido[4,3-b]indole (CID 42598746) is 3,4,5-trimethylpyrido[4,3-b]indole.
What is the SMILES notation for 3,4,5-trimethylpyrido[4,3-b]indole?
The canonical SMILES for 3,4,5-trimethylpyrido[4,3-b]indole is Cc1ncc2c3ccccc3n(C)c2c1C.
What is the InChIKey of 3,4,5-trimethylpyrido[4,3-b]indole?
The InChIKey is HFNZHAHJPQMSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-10(2)15-8-12-11-6-4-5-7-13(11)16(3)14(9)12/h4-8H,1-3H3.
What are the key properties of 3,4,5-trimethylpyrido[4,3-b]indole?
3,4,5-trimethylpyrido[4,3-b]indole has a molecular weight of 210.28 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylpyrido[4,3-b]indole is sourced from PubChem (CID 42598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).