6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole

C23H22N2 — CID 67841804

IUPAC6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2cccc3ccccc23)CNCC1
InChIInChI=1S/C23H22N2/c1-16-9-10-22-21(13-16)20-11-12-24-14-23(20)25(22)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10,13,24H,11-12,14-15H2,1H3
InChIKeyKGKDDAFLYRZDCO-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.80
Rot. Bonds2

About 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole

6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 67841804) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID67841804
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2cccc3ccccc23)CNCC1
InChIInChI=1S/C23H22N2/c1-16-9-10-22-21(13-16)20-11-12-24-14-23(20)25(22)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10,13,24H,11-12,14-15H2,1H3
InChIKeyKGKDDAFLYRZDCO-UHFFFAOYSA-N
XLogP4.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.80
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 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 67841804) is 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole is Cc1ccc2c(c1)c1c(n2Cc2cccc3ccccc23)CNCC1.
What is the InChIKey of 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is KGKDDAFLYRZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-16-9-10-22-21(13-16)20-11-12-24-14-23(20)25(22)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10,13,24H,11-12,14-15H2,1H3.
What are the key properties of 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 326.44 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 67841804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).