7-[(Z)-dodec-1-enyl]quinolin-8-ol

C21H29NO — CID 70466776

IUPAC7-[(Z)-dodec-1-enyl]quinolin-8-ol
SMILESCCCCCCCCCC/C=C\c1ccc2cccnc2c1O
InChIInChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h11-17,23H,2-10H2,1H3/b13-11-
InChIKeyDINPBTCLBJIABS-QBFSEMIESA-N
MW311.47 g/mol
LogP6.48
Rot. Bonds10

About 7-[(Z)-dodec-1-enyl]quinolin-8-ol

7-[(Z)-dodec-1-enyl]quinolin-8-ol (PubChem CID 70466776) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 7-[(Z)-dodec-1-enyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(Z)-dodec-1-enyl]quinolin-8-ol
PubChem CID70466776
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name7-[(Z)-dodec-1-enyl]quinolin-8-ol
SMILESCCCCCCCCCC/C=C\c1ccc2cccnc2c1O
InChIInChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h11-17,23H,2-10H2,1H3/b13-11-
InChIKeyDINPBTCLBJIABS-QBFSEMIESA-N
XLogP6.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 56.48
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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Related Compounds

7-[(E)-oct-1-enyl]quinolin-8-ol
CID 13177336
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
3-dec-1-enylbenzene-1,2-diol
CID 139606028
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
CID 136886731
3-[(E)-hept-1-enyl]-2-phenylpyridine
CID 23657471
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
7-propylquinolin-8-ol
CID 11604513
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-dodec-1-enyl]quinolin-8-ol?
The IUPAC name of 7-[(Z)-dodec-1-enyl]quinolin-8-ol (CID 70466776) is 7-[(Z)-dodec-1-enyl]quinolin-8-ol.
What is the SMILES notation for 7-[(Z)-dodec-1-enyl]quinolin-8-ol?
The canonical SMILES for 7-[(Z)-dodec-1-enyl]quinolin-8-ol is CCCCCCCCCC/C=C\c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(Z)-dodec-1-enyl]quinolin-8-ol?
The InChIKey is DINPBTCLBJIABS-QBFSEMIESA-N. The full InChI is InChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h11-17,23H,2-10H2,1H3/b13-11-.
What are the key properties of 7-[(Z)-dodec-1-enyl]quinolin-8-ol?
7-[(Z)-dodec-1-enyl]quinolin-8-ol has a molecular weight of 311.47 g/mol, XLogP of 6.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-dodec-1-enyl]quinolin-8-ol is sourced from PubChem (CID 70466776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).