5,7-dichloro-1H-quinolin-4-one

C9H5Cl2NO — CID 2736001

IUPAC5,7-dichloro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
InChIKeyGESHSYASHHORJB-UHFFFAOYSA-N
MW214.05 g/mol
LogP2.83
Rot. Bonds

About 5,7-dichloro-1H-quinolin-4-one

5,7-dichloro-1H-quinolin-4-one (PubChem CID 2736001) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 5,7-dichloro-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-1H-quinolin-4-one
PubChem CID2736001
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name5,7-dichloro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
InChIKeyGESHSYASHHORJB-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1H-quinolin-4-one?
The IUPAC name of 5,7-dichloro-1H-quinolin-4-one (CID 2736001) is 5,7-dichloro-1H-quinolin-4-one.
What is the SMILES notation for 5,7-dichloro-1H-quinolin-4-one?
The canonical SMILES for 5,7-dichloro-1H-quinolin-4-one is O=c1cc[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 5,7-dichloro-1H-quinolin-4-one?
The InChIKey is GESHSYASHHORJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13).
What are the key properties of 5,7-dichloro-1H-quinolin-4-one?
5,7-dichloro-1H-quinolin-4-one has a molecular weight of 214.05 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1H-quinolin-4-one is sourced from PubChem (CID 2736001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).