1-hydroxybenzo[de]quinoline

C12H9NO — CID 66971411

IUPAC1-hydroxybenzo[de]quinoline
SMILESON1C=Cc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-13-8-7-10-4-1-3-9-5-2-6-11(13)12(9)10/h1-8,14H
InChIKeyPCZJDWHSDVJLEK-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.02
Rot. Bonds

About 1-hydroxybenzo[de]quinoline

1-hydroxybenzo[de]quinoline (PubChem CID 66971411) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-hydroxybenzo[de]quinoline.

Molecular Properties

Compound Name1-hydroxybenzo[de]quinoline
PubChem CID66971411
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name1-hydroxybenzo[de]quinoline
SMILESON1C=Cc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-13-8-7-10-4-1-3-9-5-2-6-11(13)12(9)10/h1-8,14H
InChIKeyPCZJDWHSDVJLEK-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxybenzo[de]quinoline?
The IUPAC name of 1-hydroxybenzo[de]quinoline (CID 66971411) is 1-hydroxybenzo[de]quinoline.
What is the SMILES notation for 1-hydroxybenzo[de]quinoline?
The canonical SMILES for 1-hydroxybenzo[de]quinoline is ON1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-hydroxybenzo[de]quinoline?
The InChIKey is PCZJDWHSDVJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-13-8-7-10-4-1-3-9-5-2-6-11(13)12(9)10/h1-8,14H.
What are the key properties of 1-hydroxybenzo[de]quinoline?
1-hydroxybenzo[de]quinoline has a molecular weight of 183.21 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybenzo[de]quinoline is sourced from PubChem (CID 66971411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).