7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol

C21H30N2O2 — CID 136886731

IUPAC7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
SMILESCCCCCCCCCCC/C(=N/O)c1ccc2cccnc2c1O
InChIInChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-9-10-13-19(23-25)18-15-14-17-12-11-16-22-20(17)21(18)24/h11-12,14-16,24-25H,2-10,13H2,1H3/b23-19-
InChIKeyCZTKYFOZBDZFGO-NMWGTECJSA-N
MW342.48 g/mol
LogP6.04
Rot. Bonds11

About 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol

7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol (PubChem CID 136886731) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
PubChem CID136886731
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
SMILESCCCCCCCCCCC/C(=N/O)c1ccc2cccnc2c1O
InChIInChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-9-10-13-19(23-25)18-15-14-17-12-11-16-22-20(17)21(18)24/h11-12,14-16,24-25H,2-10,13H2,1H3/b23-19-
InChIKeyCZTKYFOZBDZFGO-NMWGTECJSA-N
XLogP6.04
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol?
The IUPAC name of 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol (CID 136886731) is 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol.
What is the SMILES notation for 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol?
The canonical SMILES for 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol is CCCCCCCCCCC/C(=N/O)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol?
The InChIKey is CZTKYFOZBDZFGO-NMWGTECJSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-9-10-13-19(23-25)18-15-14-17-12-11-16-22-20(17)21(18)24/h11-12,14-16,24-25H,2-10,13H2,1H3/b23-19-.
What are the key properties of 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol?
7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol has a molecular weight of 342.48 g/mol, XLogP of 6.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol is sourced from PubChem (CID 136886731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).