7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole

C27H28N4O2 — CID 155780424

IUPAC7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(CCCC1=NCCc2c1[nH]c1cc(OC)ccc21)=NCC3
InChIInChI=1S/C27H28N4O2/c1-32-16-6-8-18-20-10-12-28-22(26(20)30-24(18)14-16)4-3-5-23-27-21(11-13-29-23)19-9-7-17(33-2)15-25(19)31-27/h6-9,14-15,30-31H,3-5,10-13H2,1-2H3
InChIKeyLUQHXYAVMTWMRL-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.23
Rot. Bonds6

About 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole

7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 155780424) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID155780424
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(CCCC1=NCCc2c1[nH]c1cc(OC)ccc21)=NCC3
InChIInChI=1S/C27H28N4O2/c1-32-16-6-8-18-20-10-12-28-22(26(20)30-24(18)14-16)4-3-5-23-27-21(11-13-29-23)19-9-7-17(33-2)15-25(19)31-27/h6-9,14-15,30-31H,3-5,10-13H2,1-2H3
InChIKeyLUQHXYAVMTWMRL-UHFFFAOYSA-N
XLogP5.23
TPSA74.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole with MolForge

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Launch Full Analysis

Related Compounds

5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
CID 170981972
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
1-[2-[2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]phenyl]ethyl]-7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 163447197
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(2,4,5-trifluorophenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706973
1-[2-(3-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706986
4-[1,3-bis(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]benzaldehyde
CID 162706967
2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-4,6-dimethyl-3-propan-2-ylphenol
CID 164976882
7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706982
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(4-methoxy-3-phenoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 166963842
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 155780424) is 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole is COc1ccc2c3c([nH]c2c1)C(CCCC1=NCCc2c1[nH]c1cc(OC)ccc21)=NCC3.
What is the InChIKey of 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is LUQHXYAVMTWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-32-16-6-8-18-20-10-12-28-22(26(20)30-24(18)14-16)4-3-5-23-27-21(11-13-29-23)19-9-7-17(33-2)15-25(19)31-27/h6-9,14-15,30-31H,3-5,10-13H2,1-2H3.
What are the key properties of 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 440.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 155780424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).