2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole

C23H27N3O — CID 177310182

IUPAC2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(CCCc1cccc2c1NCC2)CC3
InChIInChI=1S/C23H27N3O/c1-27-18-7-8-21-19(14-18)20-15-26(13-10-22(20)25-21)12-3-6-16-4-2-5-17-9-11-24-23(16)17/h2,4-5,7-8,14,24-25H,3,6,9-13,15H2,1H3
InChIKeyJPHQZNDKLIELMP-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.14
Rot. Bonds5

About 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 177310182) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID177310182
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CN(CCCc1cccc2c1NCC2)CC3
InChIInChI=1S/C23H27N3O/c1-27-18-7-8-21-19(14-18)20-15-26(13-10-22(20)25-21)12-3-6-16-4-2-5-17-9-11-24-23(16)17/h2,4-5,7-8,14,24-25H,3,6,9-13,15H2,1H3
InChIKeyJPHQZNDKLIELMP-UHFFFAOYSA-N
XLogP4.14
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-methyl-1,2-oxazole
CID 77080360
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824
2-(2-bromophenyl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089347
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 25296773
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenyl)ethanone
CID 113089341
1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-phenylbutan-1-one
CID 42506667
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indole-3-carbaldehyde
CID 143502806
2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 22980542
2-[4-(4-fluorophenoxy)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59083240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 177310182) is 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole is COc1ccc2[nH]c3c(c2c1)CN(CCCc1cccc2c1NCC2)CC3.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is JPHQZNDKLIELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-27-18-7-8-21-19(14-18)20-15-26(13-10-22(20)25-21)12-3-6-16-4-2-5-17-9-11-24-23(16)17/h2,4-5,7-8,14,24-25H,3,6,9-13,15H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 361.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-indol-7-yl)propyl]-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 177310182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).