7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol

C21H29NO — CID 57000793

IUPAC7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol
SMILESCC(C)C(C)C(C)(C)C=CCCc1ccc2cccnc2c1O
InChIInChI=1S/C21H29NO/c1-15(2)16(3)21(4,5)13-7-6-9-18-12-11-17-10-8-14-22-19(17)20(18)23/h7-8,10-16,23H,6,9H2,1-5H3
InChIKeyBJTYQBIWHLINRS-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.75
Rot. Bonds6

About 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol

7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol (PubChem CID 57000793) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol.

Molecular Properties

Compound Name7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol
PubChem CID57000793
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol
SMILESCC(C)C(C)C(C)(C)C=CCCc1ccc2cccnc2c1O
InChIInChI=1S/C21H29NO/c1-15(2)16(3)21(4,5)13-7-6-9-18-12-11-17-10-8-14-22-19(17)20(18)23/h7-8,10-16,23H,6,9H2,1-5H3
InChIKeyBJTYQBIWHLINRS-UHFFFAOYSA-N
XLogP5.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-propylquinolin-8-ol
CID 11604513
7-[(2-chlorophenyl)methyl]quinolin-8-ol
CID 46226670
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
7-[(Z)-dodec-1-enyl]quinolin-8-ol
CID 70466776
7-[(E)-oct-1-enyl]quinolin-8-ol
CID 13177336
7-[[2-(dimethylamino)ethylamino]methyl]quinolin-8-ol
CID 51353009
8-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222111
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
7-propylquinoline-8-carboxylic acid
CID 86190873
5-methyl-2-quinolin-8-ylhexan-2-ol
CID 114280033

Frequently Asked Questions

What is the IUPAC name of 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol?
The IUPAC name of 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol (CID 57000793) is 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol.
What is the SMILES notation for 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol?
The canonical SMILES for 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol is CC(C)C(C)C(C)(C)C=CCCc1ccc2cccnc2c1O.
What is the InChIKey of 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol?
The InChIKey is BJTYQBIWHLINRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-15(2)16(3)21(4,5)13-7-6-9-18-12-11-17-10-8-14-22-19(17)20(18)23/h7-8,10-16,23H,6,9H2,1-5H3.
What are the key properties of 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol?
7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol has a molecular weight of 311.47 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,5,6,7-tetramethyloct-3-enyl)quinolin-8-ol is sourced from PubChem (CID 57000793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).