5-methylidene-1H-quinolin-8-ol

C10H9NO — CID 87400395

IUPAC5-methylidene-1H-quinolin-8-ol
SMILESC=c1ccc(O)c2c1=CC=CN2
InChIInChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,11-12H,1H2
InChIKeyQMTXHCHHTIKSHN-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.52
Rot. Bonds

About 5-methylidene-1H-quinolin-8-ol

5-methylidene-1H-quinolin-8-ol (PubChem CID 87400395) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-methylidene-1H-quinolin-8-ol.

Molecular Properties

Compound Name5-methylidene-1H-quinolin-8-ol
PubChem CID87400395
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-methylidene-1H-quinolin-8-ol
SMILESC=c1ccc(O)c2c1=CC=CN2
InChIInChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,11-12H,1H2
InChIKeyQMTXHCHHTIKSHN-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1H-quinolin-8-ol?
The IUPAC name of 5-methylidene-1H-quinolin-8-ol (CID 87400395) is 5-methylidene-1H-quinolin-8-ol.
What is the SMILES notation for 5-methylidene-1H-quinolin-8-ol?
The canonical SMILES for 5-methylidene-1H-quinolin-8-ol is C=c1ccc(O)c2c1=CC=CN2.
What is the InChIKey of 5-methylidene-1H-quinolin-8-ol?
The InChIKey is QMTXHCHHTIKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,11-12H,1H2.
What are the key properties of 5-methylidene-1H-quinolin-8-ol?
5-methylidene-1H-quinolin-8-ol has a molecular weight of 159.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1H-quinolin-8-ol is sourced from PubChem (CID 87400395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).