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'}

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

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Related Compounds

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CID 5280953
Harmine Hydrochloride
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CID 9881423
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
Dihydropyrrolopyrazole, 14a
CID 21992630
Dihydropyrrolopyrazole, 23
CID 24776257
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
CID 139520309
2-[9-methoxy-3-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 153697722
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983

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).