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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Related Compounds

2-bromo-3-chloro-1H-pyridin-4-one
CID 57336548
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
5,6,7-trifluoro-1H-quinolin-4-one
CID 62813764
5-(2-bromophenyl)-1H-quinolin-4-one
CID 155929504
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
5-bromo-6,7-dichloro-1H-indole
CID 172639291
6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
CID 165123375
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 169178050
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
8-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 130131648

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).