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

C30H30N4O2 — CID 71017699

IUPAC7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C30H30N4O2/c1-19-29-25(11-13-31-19)23-9-7-21(35-3)17-27(23)33(29)15-5-6-16-34-28-18-22(36-4)8-10-24(28)26-12-14-32-20(2)30(26)34/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyNLTKKNOUKMZBAT-UHFFFAOYSA-N
MW478.60 g/mol
LogP6.81
Rot. Bonds7

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

7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole (PubChem CID 71017699) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole
PubChem CID71017699
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C30H30N4O2/c1-19-29-25(11-13-31-19)23-9-7-21(35-3)17-27(23)33(29)15-5-6-16-34-28-18-22(36-4)8-10-24(28)26-12-14-32-20(2)30(26)34/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyNLTKKNOUKMZBAT-UHFFFAOYSA-N
XLogP6.81
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 56.81
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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole (CID 71017699) is 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole is COc1ccc2c3ccnc(C)c3n(CCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1.
What is the InChIKey of 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is NLTKKNOUKMZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-19-29-25(11-13-31-19)23-9-7-21(35-3)17-27(23)33(29)15-5-6-16-34-28-18-22(36-4)8-10-24(28)26-12-14-32-20(2)30(26)34/h7-14,17-18H,5-6,15-16H2,1-4H3.
What are the key properties of 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole?
7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 478.60 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 71017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).