1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde

C24H25N3O2 — CID 143502806

IUPAC1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C=O)c2ccccc21)C3
InChIInChI=1S/C24H25N3O2/c1-29-18-7-8-22-21(13-18)20-9-12-26(15-23(20)25-22)10-4-11-27-14-17(16-28)19-5-2-3-6-24(19)27/h2-3,5-8,13-14,16,25H,4,9-12,15H2,1H3
InChIKeyIGMORVVFGPUOKZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.39
Rot. Bonds6

About 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde

1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde (PubChem CID 143502806) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde
PubChem CID143502806
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C=O)c2ccccc21)C3
InChIInChI=1S/C24H25N3O2/c1-29-18-7-8-22-21(13-18)20-9-12-26(15-23(20)25-22)10-4-11-27-14-17(16-28)19-5-2-3-6-24(19)27/h2-3,5-8,13-14,16,25H,4,9-12,15H2,1H3
InChIKeyIGMORVVFGPUOKZ-UHFFFAOYSA-N
XLogP4.39
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
2-butylsulfonyl-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090234
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113090173
1-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-(4-methylphenoxy)ethanone
CID 113090208
2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 177310182
1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde
CID 82164234
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
CID 23641667
(3-methoxyphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 11594688
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 113090192
1-[12-[ethyl-[(3-hydroxyphenyl)methyl]amino]dodecyl]-5-methoxyindole-3-carbaldehyde
CID 171355002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde?
The IUPAC name of 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde (CID 143502806) is 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde is COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C=O)c2ccccc21)C3.
What is the InChIKey of 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde?
The InChIKey is IGMORVVFGPUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-18-7-8-22-21(13-18)20-9-12-26(15-23(20)25-22)10-4-11-27-14-17(16-28)19-5-2-3-6-24(19)27/h2-3,5-8,13-14,16,25H,4,9-12,15H2,1H3.
What are the key properties of 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde?
1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde has a molecular weight of 387.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde is sourced from PubChem (CID 143502806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).