4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol

C16H23NO2 — CID 141108738

IUPAC4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
SMILESOCCCCC1NC2C=CC=CC2=C2OCCCC21
InChIInChI=1S/C16H23NO2/c18-10-4-3-9-15-13-7-5-11-19-16(13)12-6-1-2-8-14(12)17-15/h1-2,6,8,13-15,17-18H,3-5,7,9-11H2
InChIKeyNGKOXMYQCRSNRD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds4

About 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol

4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol (PubChem CID 141108738) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
PubChem CID141108738
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
SMILESOCCCCC1NC2C=CC=CC2=C2OCCCC21
InChIInChI=1S/C16H23NO2/c18-10-4-3-9-15-13-7-5-11-19-16(13)12-6-1-2-8-14(12)17-15/h1-2,6,8,13-15,17-18H,3-5,7,9-11H2
InChIKeyNGKOXMYQCRSNRD-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The IUPAC name of 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol (CID 141108738) is 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol.
What is the SMILES notation for 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The canonical SMILES for 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol is OCCCCC1NC2C=CC=CC2=C2OCCCC21.
What is the InChIKey of 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The InChIKey is NGKOXMYQCRSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-10-4-3-9-15-13-7-5-11-19-16(13)12-6-1-2-8-14(12)17-15/h1-2,6,8,13-15,17-18H,3-5,7,9-11H2.
What are the key properties of 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol is sourced from PubChem (CID 141108738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).