2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

C20H22N2O — CID 22980542

IUPAC2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESc1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1
InChIInChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-20-18(15-22)17-9-4-5-10-19(17)21-20/h1-5,7-10,21H,6,11-15H2
InChIKeyIXCFIKTWJYDNHO-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 22980542) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID22980542
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESc1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1
InChIInChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-20-18(15-22)17-9-4-5-10-19(17)21-20/h1-5,7-10,21H,6,11-15H2
InChIKeyIXCFIKTWJYDNHO-UHFFFAOYSA-N
XLogP4.00
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenoxy)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59083240
2-(4-phenylbutyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155549427
2-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 54587721
1'-(3-phenoxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 126472040
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 117014262
2-phenoxy-1-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)ethanone
CID 84580494
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183
1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
CID 56729983
4,5,6,7-tetrachloro-2-(3-phenoxypropyl)-1,3-dihydroisoindole
CID 23727804
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
1-(3-phenoxypropyl)piperazine
CID 2760351
8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 22980542) is 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is c1ccc(OCCCN2CCc3[nH]c4ccccc4c3C2)cc1.
What is the InChIKey of 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is IXCFIKTWJYDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-20-18(15-22)17-9-4-5-10-19(17)21-20/h1-5,7-10,21H,6,11-15H2.
What are the key properties of 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 306.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 22980542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).