5-chloro-7-methylidene-1H-quinolin-8-ol

C10H8ClNO — CID 21257312

IUPAC5-chloro-7-methylidene-1H-quinolin-8-ol
SMILESC=c1cc(Cl)c2c(c1O)NC=CC=2
InChIInChI=1S/C10H8ClNO/c1-6-5-8(11)7-3-2-4-12-9(7)10(6)13/h2-5,12-13H,1H2
InChIKeyXBFKRHQSHPXJNL-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.18
Rot. Bonds

About 5-chloro-7-methylidene-1H-quinolin-8-ol

5-chloro-7-methylidene-1H-quinolin-8-ol (PubChem CID 21257312) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-chloro-7-methylidene-1H-quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-methylidene-1H-quinolin-8-ol
PubChem CID21257312
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-chloro-7-methylidene-1H-quinolin-8-ol
SMILESC=c1cc(Cl)c2c(c1O)NC=CC=2
InChIInChI=1S/C10H8ClNO/c1-6-5-8(11)7-3-2-4-12-9(7)10(6)13/h2-5,12-13H,1H2
InChIKeyXBFKRHQSHPXJNL-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.18
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-chloro-7-methylidene-1H-quinolin-8-ol?
The IUPAC name of 5-chloro-7-methylidene-1H-quinolin-8-ol (CID 21257312) is 5-chloro-7-methylidene-1H-quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-methylidene-1H-quinolin-8-ol?
The canonical SMILES for 5-chloro-7-methylidene-1H-quinolin-8-ol is C=c1cc(Cl)c2c(c1O)NC=CC=2.
What is the InChIKey of 5-chloro-7-methylidene-1H-quinolin-8-ol?
The InChIKey is XBFKRHQSHPXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-5-8(11)7-3-2-4-12-9(7)10(6)13/h2-5,12-13H,1H2.
What are the key properties of 5-chloro-7-methylidene-1H-quinolin-8-ol?
5-chloro-7-methylidene-1H-quinolin-8-ol has a molecular weight of 193.63 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methylidene-1H-quinolin-8-ol is sourced from PubChem (CID 21257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).