5-chloro-8-methylidenequinolin-4-one

C10H6ClNO — CID 73358278

IUPAC5-chloro-8-methylidenequinolin-4-one
SMILESC=c1ccc(Cl)c2c1=NC=CC2=O
InChIInChI=1S/C10H6ClNO/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H2
InChIKeyIDMXQKDYCKSKNG-UHFFFAOYSA-N
MW191.62 g/mol
LogP1.08
Rot. Bonds

About 5-chloro-8-methylidenequinolin-4-one

5-chloro-8-methylidenequinolin-4-one (PubChem CID 73358278) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-chloro-8-methylidenequinolin-4-one.

Molecular Properties

Compound Name5-chloro-8-methylidenequinolin-4-one
PubChem CID73358278
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name5-chloro-8-methylidenequinolin-4-one
SMILESC=c1ccc(Cl)c2c1=NC=CC2=O
InChIInChI=1S/C10H6ClNO/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H2
InChIKeyIDMXQKDYCKSKNG-UHFFFAOYSA-N
XLogP1.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methylidenequinolin-4-one?
The IUPAC name of 5-chloro-8-methylidenequinolin-4-one (CID 73358278) is 5-chloro-8-methylidenequinolin-4-one.
What is the SMILES notation for 5-chloro-8-methylidenequinolin-4-one?
The canonical SMILES for 5-chloro-8-methylidenequinolin-4-one is C=c1ccc(Cl)c2c1=NC=CC2=O.
What is the InChIKey of 5-chloro-8-methylidenequinolin-4-one?
The InChIKey is IDMXQKDYCKSKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H2.
What are the key properties of 5-chloro-8-methylidenequinolin-4-one?
5-chloro-8-methylidenequinolin-4-one has a molecular weight of 191.62 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methylidenequinolin-4-one is sourced from PubChem (CID 73358278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).