7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole

C31H32N4O2 — CID 68816052

IUPAC7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C31H32N4O2/c1-20-30-26(12-14-32-20)24-10-8-22(36-3)18-28(24)34(30)16-6-5-7-17-35-29-19-23(37-4)9-11-25(29)27-13-15-33-21(2)31(27)35/h8-15,18-19H,5-7,16-17H2,1-4H3
InChIKeyKYBGKOWEMYZCTP-UHFFFAOYSA-N
MW492.62 g/mol
LogP7.20
Rot. Bonds8

About 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole

7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole (PubChem CID 68816052) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
PubChem CID68816052
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1
InChIInChI=1S/C31H32N4O2/c1-20-30-26(12-14-32-20)24-10-8-22(36-3)18-28(24)34(30)16-6-5-7-17-35-29-19-23(37-4)9-11-25(29)27-13-15-33-21(2)31(27)35/h8-15,18-19H,5-7,16-17H2,1-4H3
InChIKeyKYBGKOWEMYZCTP-UHFFFAOYSA-N
XLogP7.20
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 57.20
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-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole (CID 68816052) is 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole is COc1ccc2c3ccnc(C)c3n(CCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1.
What is the InChIKey of 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is KYBGKOWEMYZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-20-30-26(12-14-32-20)24-10-8-22(36-3)18-28(24)34(30)16-6-5-7-17-35-29-19-23(37-4)9-11-25(29)27-13-15-33-21(2)31(27)35/h8-15,18-19H,5-7,16-17H2,1-4H3.
What are the key properties of 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole?
7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 492.62 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[5-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 68816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).