5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol

C17H22N2O2 — CID 170981972

IUPAC5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
SMILESCOc1ccc2c3c([nH]c2c1)C(CCCCCO)=NCC3
InChIInChI=1S/C17H22N2O2/c1-21-12-6-7-13-14-8-9-18-15(5-3-2-4-10-20)17(14)19-16(13)11-12/h6-7,11,19-20H,2-5,8-10H2,1H3
InChIKeyDWGDSUIGGVBCDJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds6

About 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol

5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol (PubChem CID 170981972) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
PubChem CID170981972
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
SMILESCOc1ccc2c3c([nH]c2c1)C(CCCCCO)=NCC3
InChIInChI=1S/C17H22N2O2/c1-21-12-6-7-13-14-8-9-18-15(5-3-2-4-10-20)17(14)19-16(13)11-12/h6-7,11,19-20H,2-5,8-10H2,1H3
InChIKeyDWGDSUIGGVBCDJ-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol?
The IUPAC name of 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol (CID 170981972) is 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol?
The canonical SMILES for 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol is COc1ccc2c3c([nH]c2c1)C(CCCCCO)=NCC3.
What is the InChIKey of 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol?
The InChIKey is DWGDSUIGGVBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-12-6-7-13-14-8-9-18-15(5-3-2-4-10-20)17(14)19-16(13)11-12/h6-7,11,19-20H,2-5,8-10H2,1H3.
What are the key properties of 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol?
5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol is sourced from PubChem (CID 170981972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).