2-chloro-7,8-dihydro-6H-quinolin-5-one

C9H8ClNO — CID 592839

IUPAC2-chloro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(Cl)ccc21
InChIInChI=1S/C9H8ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h4-5H,1-3H2
InChIKeyGWDDFDLEOYOZLY-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.25
Rot. Bonds

About 2-chloro-7,8-dihydro-6H-quinolin-5-one

2-chloro-7,8-dihydro-6H-quinolin-5-one (PubChem CID 592839) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-chloro-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-chloro-7,8-dihydro-6H-quinolin-5-one
PubChem CID592839
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name2-chloro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(Cl)ccc21
InChIInChI=1S/C9H8ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h4-5H,1-3H2
InChIKeyGWDDFDLEOYOZLY-UHFFFAOYSA-N
XLogP2.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-chloro-7,8-dihydro-6H-quinolin-5-one (CID 592839) is 2-chloro-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-chloro-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-chloro-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is GWDDFDLEOYOZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h4-5H,1-3H2.
What are the key properties of 2-chloro-7,8-dihydro-6H-quinolin-5-one?
2-chloro-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 181.62 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 592839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).