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

C9H8ClNO — CID 10997654

IUPAC3-chloro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(Cl)cc21
InChIInChI=1S/C9H8ClNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2
InChIKeyRKZNIWFFGNBOLH-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.25
Rot. Bonds

About 3-chloro-7,8-dihydro-6H-quinolin-5-one

3-chloro-7,8-dihydro-6H-quinolin-5-one (PubChem CID 10997654) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 3-chloro-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-chloro-7,8-dihydro-6H-quinolin-5-one
PubChem CID10997654
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name3-chloro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(Cl)cc21
InChIInChI=1S/C9H8ClNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2
InChIKeyRKZNIWFFGNBOLH-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-chloro-7,8-dihydro-6H-quinolin-5-one (CID 10997654) is 3-chloro-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-chloro-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-chloro-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2ncc(Cl)cc21.
What is the InChIKey of 3-chloro-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is RKZNIWFFGNBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h4-5H,1-3H2.
What are the key properties of 3-chloro-7,8-dihydro-6H-quinolin-5-one?
3-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 3-chloro-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 10997654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).