1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole

C31H32N4 — CID 71539283

IUPAC1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C31H32N4/c1-22-30-26(16-18-32-22)24-12-6-8-14-28(24)34(30)20-10-4-3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23(2)31(27)35/h6-9,12-19H,3-5,10-11,20-21H2,1-2H3
InChIKeyHIDOCNYVGHKFRN-UHFFFAOYSA-N
MW460.63 g/mol
LogP7.96
Rot. Bonds8

About 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole

1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole (PubChem CID 71539283) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole
PubChem CID71539283
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCCCCCCn3c4ccccc4c4ccnc(C)c43)c12
InChIInChI=1S/C31H32N4/c1-22-30-26(16-18-32-22)24-12-6-8-14-28(24)34(30)20-10-4-3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23(2)31(27)35/h6-9,12-19H,3-5,10-11,20-21H2,1-2H3
InChIKeyHIDOCNYVGHKFRN-UHFFFAOYSA-N
XLogP7.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Beta-Carboline
CID 64961
Latrepirdine
CID 197033
Harman
CID 5281404
Mebhydrolin
CID 22530
Canthin-6-One
CID 97176
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
NOP agonist-2
CID 129188443
9H-Pyrido(3,4-b)indole, 1-methyl-, hydrochloride (1:1)
CID 5487918
Decussine
CID 156336
Eudistomin U
CID 10334023
3-((4-benzylpiperazino)methyl)-1H-indole
CID 563075
Usambarensine
CID 5281413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole (CID 71539283) is 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCCCCCCn3c4ccccc4c4ccnc(C)c43)c12.
What is the InChIKey of 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole?
The InChIKey is HIDOCNYVGHKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1-22-30-26(16-18-32-22)24-12-6-8-14-28(24)34(30)20-10-4-3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23(2)31(27)35/h6-9,12-19H,3-5,10-11,20-21H2,1-2H3.
What are the key properties of 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole?
1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole has a molecular weight of 460.63 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[7-(1-methylpyrido[3,4-b]indol-9-yl)heptyl]pyrido[3,4-b]indole is sourced from PubChem (CID 71539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).