7-[(E)-oct-1-enyl]quinolin-8-ol

C17H21NO — CID 13177336

IUPAC7-[(E)-oct-1-enyl]quinolin-8-ol
SMILESCCCCCC/C=C/c1ccc2cccnc2c1O
InChIInChI=1S/C17H21NO/c1-2-3-4-5-6-7-9-15-12-11-14-10-8-13-18-16(14)17(15)19/h7-13,19H,2-6H2,1H3/b9-7+
InChIKeyQAKAQLXJQXWCOQ-VQHVLOKHSA-N
MW255.36 g/mol
LogP4.92
Rot. Bonds6

About 7-[(E)-oct-1-enyl]quinolin-8-ol

7-[(E)-oct-1-enyl]quinolin-8-ol (PubChem CID 13177336) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 7-[(E)-oct-1-enyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(E)-oct-1-enyl]quinolin-8-ol
PubChem CID13177336
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name7-[(E)-oct-1-enyl]quinolin-8-ol
SMILESCCCCCC/C=C/c1ccc2cccnc2c1O
InChIInChI=1S/C17H21NO/c1-2-3-4-5-6-7-9-15-12-11-14-10-8-13-18-16(14)17(15)19/h7-13,19H,2-6H2,1H3/b9-7+
InChIKeyQAKAQLXJQXWCOQ-VQHVLOKHSA-N
XLogP4.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-[(E)-oct-1-enyl]quinolin-8-ol?
The IUPAC name of 7-[(E)-oct-1-enyl]quinolin-8-ol (CID 13177336) is 7-[(E)-oct-1-enyl]quinolin-8-ol.
What is the SMILES notation for 7-[(E)-oct-1-enyl]quinolin-8-ol?
The canonical SMILES for 7-[(E)-oct-1-enyl]quinolin-8-ol is CCCCCC/C=C/c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(E)-oct-1-enyl]quinolin-8-ol?
The InChIKey is QAKAQLXJQXWCOQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-3-4-5-6-7-9-15-12-11-14-10-8-13-18-16(14)17(15)19/h7-13,19H,2-6H2,1H3/b9-7+.
What are the key properties of 7-[(E)-oct-1-enyl]quinolin-8-ol?
7-[(E)-oct-1-enyl]quinolin-8-ol has a molecular weight of 255.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-oct-1-enyl]quinolin-8-ol is sourced from PubChem (CID 13177336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).