5,7-dichloro-3-hydroxy-4aH-quinolin-2-one

C9H5Cl2NO2 — CID 74043639

IUPAC5,7-dichloro-3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=C(Cl)C=C(Cl)C2C=C1O
InChIInChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(13)9(14)12-7(5)2-4/h1-3,5,13H
InChIKeyPGMBJSMHDGHAKM-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.28
Rot. Bonds

About 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one

5,7-dichloro-3-hydroxy-4aH-quinolin-2-one (PubChem CID 74043639) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-hydroxy-4aH-quinolin-2-one
PubChem CID74043639
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name5,7-dichloro-3-hydroxy-4aH-quinolin-2-one
SMILESO=C1N=C2C=C(Cl)C=C(Cl)C2C=C1O
InChIInChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(13)9(14)12-7(5)2-4/h1-3,5,13H
InChIKeyPGMBJSMHDGHAKM-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

5,7-difluoro-3-hydroxy-4aH-quinolin-2-one
CID 74043679
5,7-dichloro-8-hydroxy-4aH-quinolin-2-one
CID 45024050
3-hydroxy-4aH-quinolin-2-one
CID 73455986
5,7-dichloro-4aH-quinolin-2-one
CID 74600760
3-hydroxy-7-methyl-4aH-quinolin-2-one
CID 74936429
5,8-dichloro-4aH-quinolin-2-one
CID 76038984
8-chloro-4-hydroxy-4aH-quinolin-2-one
CID 76173208

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one (CID 74043639) is 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one is O=C1N=C2C=C(Cl)C=C(Cl)C2C=C1O.
What is the InChIKey of 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one?
The InChIKey is PGMBJSMHDGHAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(13)9(14)12-7(5)2-4/h1-3,5,13H.
What are the key properties of 5,7-dichloro-3-hydroxy-4aH-quinolin-2-one?
5,7-dichloro-3-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-3-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 74043639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).