7-bromo-5,6-dichloro-1H-quinolin-4-one

C9H4BrCl2NO — CID 138678826

IUPAC7-bromo-5,6-dichloro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(Br)c(Cl)c(Cl)c12
InChIInChI=1S/C9H4BrCl2NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyQNHJCVVSLGNUJK-UHFFFAOYSA-N
MW292.95 g/mol
LogP3.60
Rot. Bonds

About 7-bromo-5,6-dichloro-1H-quinolin-4-one

7-bromo-5,6-dichloro-1H-quinolin-4-one (PubChem CID 138678826) has the molecular formula C9H4BrCl2NO and a molecular weight of 292.95 g/mol. Its IUPAC name is 7-bromo-5,6-dichloro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-bromo-5,6-dichloro-1H-quinolin-4-one
PubChem CID138678826
Molecular FormulaC9H4BrCl2NO
Molecular Weight292.95 g/mol
Exact Mass290.89
IUPAC Name7-bromo-5,6-dichloro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(Br)c(Cl)c(Cl)c12
InChIInChI=1S/C9H4BrCl2NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyQNHJCVVSLGNUJK-UHFFFAOYSA-N
XLogP3.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.95
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,6-dichloro-1H-quinolin-4-one?
The IUPAC name of 7-bromo-5,6-dichloro-1H-quinolin-4-one (CID 138678826) is 7-bromo-5,6-dichloro-1H-quinolin-4-one.
What is the SMILES notation for 7-bromo-5,6-dichloro-1H-quinolin-4-one?
The canonical SMILES for 7-bromo-5,6-dichloro-1H-quinolin-4-one is O=c1cc[nH]c2cc(Br)c(Cl)c(Cl)c12.
What is the InChIKey of 7-bromo-5,6-dichloro-1H-quinolin-4-one?
The InChIKey is QNHJCVVSLGNUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14).
What are the key properties of 7-bromo-5,6-dichloro-1H-quinolin-4-one?
7-bromo-5,6-dichloro-1H-quinolin-4-one has a molecular weight of 292.95 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,6-dichloro-1H-quinolin-4-one is sourced from PubChem (CID 138678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).