8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H8ClNO2 — CID 12899140

IUPAC8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(O)ccc(Cl)c2N1
InChIInChI=1S/C9H8ClNO2/c10-6-2-3-7(12)5-1-4-8(13)11-9(5)6/h2-3,12H,1,4H2,(H,11,13)
InChIKeyJBLUTMBJJMMYRZ-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.93
Rot. Bonds

About 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899140) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899140
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(O)ccc(Cl)c2N1
InChIInChI=1S/C9H8ClNO2/c10-6-2-3-7(12)5-1-4-8(13)11-9(5)6/h2-3,12H,1,4H2,(H,11,13)
InChIKeyJBLUTMBJJMMYRZ-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 12899140) is 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(O)ccc(Cl)c2N1.
What is the InChIKey of 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JBLUTMBJJMMYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-6-2-3-7(12)5-1-4-8(13)11-9(5)6/h2-3,12H,1,4H2,(H,11,13).
What are the key properties of 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).