5-methyl-3-octylpyrido[4,3-b]indole

C20H26N2 — CID 11426410

IUPAC5-methyl-3-octylpyrido[4,3-b]indole
SMILESCCCCCCCCc1cc2c(cn1)c1ccccc1n2C
InChIInChI=1S/C20H26N2/c1-3-4-5-6-7-8-11-16-14-20-18(15-21-16)17-12-9-10-13-19(17)22(20)2/h9-10,12-15H,3-8,11H2,1-2H3
InChIKeyVVWVFBGSRRSEAQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.63
Rot. Bonds7

About 5-methyl-3-octylpyrido[4,3-b]indole

5-methyl-3-octylpyrido[4,3-b]indole (PubChem CID 11426410) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-methyl-3-octylpyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-3-octylpyrido[4,3-b]indole
PubChem CID11426410
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name5-methyl-3-octylpyrido[4,3-b]indole
SMILESCCCCCCCCc1cc2c(cn1)c1ccccc1n2C
InChIInChI=1S/C20H26N2/c1-3-4-5-6-7-8-11-16-14-20-18(15-21-16)17-12-9-10-13-19(17)22(20)2/h9-10,12-15H,3-8,11H2,1-2H3
InChIKeyVVWVFBGSRRSEAQ-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 5-methylpyrido[4,3-b]indole-3-carboxylate
CID 102310229
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
CID 13316106
1,3-dimethyl-2-tridecylindole
CID 122371242
tert-butyl 3-hexylpyrido[3,4-b]indole-9-carboxylate
CID 135059896
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
1-methyl-2-undecylquinolin-4-one
CID 5319811
benzene;3-pentylisoquinoline
CID 175224692
3-decyl-1-methylindole
CID 10802084
9-docosylcarbazole
CID 10528568
3-propylphenanthro[9,10-c]pyridine
CID 71733890
9-hexadecylcarbazole
CID 4166588
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-octylpyrido[4,3-b]indole?
The IUPAC name of 5-methyl-3-octylpyrido[4,3-b]indole (CID 11426410) is 5-methyl-3-octylpyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-3-octylpyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-3-octylpyrido[4,3-b]indole is CCCCCCCCc1cc2c(cn1)c1ccccc1n2C.
What is the InChIKey of 5-methyl-3-octylpyrido[4,3-b]indole?
The InChIKey is VVWVFBGSRRSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-4-5-6-7-8-11-16-14-20-18(15-21-16)17-12-9-10-13-19(17)22(20)2/h9-10,12-15H,3-8,11H2,1-2H3.
What are the key properties of 5-methyl-3-octylpyrido[4,3-b]indole?
5-methyl-3-octylpyrido[4,3-b]indole has a molecular weight of 294.44 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-octylpyrido[4,3-b]indole is sourced from PubChem (CID 11426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).