(8-hydroxyquinolin-7-yl)methanediol

C10H9NO3 — CID 145367917

IUPAC(8-hydroxyquinolin-7-yl)methanediol
SMILESOc1c(C(O)O)ccc2cccnc12
InChIInChI=1S/C10H9NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h1-5,10,12-14H
InChIKeyOZOVFHSSHVZUOT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.92
Rot. Bonds1

About (8-hydroxyquinolin-7-yl)methanediol

(8-hydroxyquinolin-7-yl)methanediol (PubChem CID 145367917) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (8-hydroxyquinolin-7-yl)methanediol.

Molecular Properties

Compound Name(8-hydroxyquinolin-7-yl)methanediol
PubChem CID145367917
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(8-hydroxyquinolin-7-yl)methanediol
SMILESOc1c(C(O)O)ccc2cccnc12
InChIInChI=1S/C10H9NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h1-5,10,12-14H
InChIKeyOZOVFHSSHVZUOT-UHFFFAOYSA-N
XLogP0.92
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);ruthenium
CID 15001085
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 5092864
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246

Frequently Asked Questions

What is the IUPAC name of (8-hydroxyquinolin-7-yl)methanediol?
The IUPAC name of (8-hydroxyquinolin-7-yl)methanediol (CID 145367917) is (8-hydroxyquinolin-7-yl)methanediol.
What is the SMILES notation for (8-hydroxyquinolin-7-yl)methanediol?
The canonical SMILES for (8-hydroxyquinolin-7-yl)methanediol is Oc1c(C(O)O)ccc2cccnc12.
What is the InChIKey of (8-hydroxyquinolin-7-yl)methanediol?
The InChIKey is OZOVFHSSHVZUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h1-5,10,12-14H.
What are the key properties of (8-hydroxyquinolin-7-yl)methanediol?
(8-hydroxyquinolin-7-yl)methanediol has a molecular weight of 191.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxyquinolin-7-yl)methanediol is sourced from PubChem (CID 145367917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).