7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole

C32H34N4O2 — CID 71539519

IUPAC7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C32H34N4O2/c1-21-31-27(13-15-33-21)25-11-9-23(37-3)19-29(25)35(31)17-7-5-6-8-18-36-30-20-24(38-4)10-12-26(30)28-14-16-34-22(2)32(28)36/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyQHLWPKPMAVWKLH-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.59
Rot. Bonds9

About 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole

7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole (PubChem CID 71539519) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
PubChem CID71539519
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC Name7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C32H34N4O2/c1-21-31-27(13-15-33-21)25-11-9-23(37-3)19-29(25)35(31)17-7-5-6-8-18-36-30-20-24(38-4)10-12-26(30)28-14-16-34-22(2)32(28)36/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyQHLWPKPMAVWKLH-UHFFFAOYSA-N
XLogP7.59
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
CID 155682956
7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride
CID 86298492
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
CID 155541088
N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
CID 155682992
4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine
CID 90463069
4-[7-(deuteriomethoxy)-1-methylpyrido[3,4-b]indol-9-yl]butanenitrile
CID 155682962
5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
CID 86298685
4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575646
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
CID 46704401

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole (CID 71539519) is 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole is COc1ccc2c3ccnc(C)c3n(CCCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1.
What is the InChIKey of 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is QHLWPKPMAVWKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-21-31-27(13-15-33-21)25-11-9-23(37-3)19-29(25)35(31)17-7-5-6-8-18-36-30-20-24(38-4)10-12-26(30)28-14-16-34-22(2)32(28)36/h9-16,19-20H,5-8,17-18H2,1-4H3.
What are the key properties of 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole?
7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 506.65 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 71539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).