5,7-dichloro-8-hydroxy-4aH-quinolin-2-one

C9H5Cl2NO2 — CID 45024050

IUPAC5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
SMILESO=C1C=CC2C(Cl)=CC(Cl)=C(O)C2=N1
InChIInChI=1S/C9H5Cl2NO2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-4,14H
InChIKeyQQXVEOOLECYYLY-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.28
Rot. Bonds

About 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one

5,7-dichloro-8-hydroxy-4aH-quinolin-2-one (PubChem CID 45024050) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
PubChem CID45024050
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
SMILESO=C1C=CC2C(Cl)=CC(Cl)=C(O)C2=N1
InChIInChI=1S/C9H5Cl2NO2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-4,14H
InChIKeyQQXVEOOLECYYLY-UHFFFAOYSA-N
XLogP2.28
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-hydroxy-4aH-quinolin-2-one
CID 71302937
4-hydroxy-4aH-quinolin-2-one
CID 71303372
8-hydroxy-4aH-quinolin-2-one
CID 73629614
5,7-dichloro-3-hydroxy-4aH-quinolin-2-one
CID 74043639
5,7-dichloro-4aH-quinolin-2-one
CID 74600760
5,8-dichloro-4aH-quinolin-2-one
CID 76038984
8-chloro-4-hydroxy-4aH-quinolin-2-one
CID 76173208
8-hydroxy-6-methyl-4aH-quinolin-2-one
CID 76851635

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one (CID 45024050) is 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one is O=C1C=CC2C(Cl)=CC(Cl)=C(O)C2=N1.
What is the InChIKey of 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one?
The InChIKey is QQXVEOOLECYYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-4,14H.
What are the key properties of 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one?
5,7-dichloro-8-hydroxy-4aH-quinolin-2-one has a molecular weight of 230.05 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 45024050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).