4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol

C17H25NO2 — CID 141108741

IUPAC4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
SMILESCC1=CC2=C3OCCCC3C(CCCCO)NC2C=C1
InChIInChI=1S/C17H25NO2/c1-12-7-8-16-14(11-12)17-13(5-4-10-20-17)15(18-16)6-2-3-9-19/h7-8,11,13,15-16,18-19H,2-6,9-10H2,1H3
InChIKeyVRSINWYGDBFGHA-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.69
Rot. Bonds4

About 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol

4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol (PubChem CID 141108741) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
PubChem CID141108741
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol
SMILESCC1=CC2=C3OCCCC3C(CCCCO)NC2C=C1
InChIInChI=1S/C17H25NO2/c1-12-7-8-16-14(11-12)17-13(5-4-10-20-17)15(18-16)6-2-3-9-19/h7-8,11,13,15-16,18-19H,2-6,9-10H2,1H3
InChIKeyVRSINWYGDBFGHA-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.69
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-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The IUPAC name of 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol (CID 141108741) is 4-(9-methyl-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-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The canonical SMILES for 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol is CC1=CC2=C3OCCCC3C(CCCCO)NC2C=C1.
What is the InChIKey of 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
The InChIKey is VRSINWYGDBFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-7-8-16-14(11-12)17-13(5-4-10-20-17)15(18-16)6-2-3-9-19/h7-8,11,13,15-16,18-19H,2-6,9-10H2,1H3.
What are the key properties of 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol?
4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)butan-1-ol is sourced from PubChem (CID 141108741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).