2-bromo-3,7-dichloro-1H-quinolin-4-one

C9H4BrCl2NO — CID 174901251

IUPAC2-bromo-3,7-dichloro-1H-quinolin-4-one
SMILESO=c1c(Cl)c(Br)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H4BrCl2NO/c10-9-7(12)8(14)5-2-1-4(11)3-6(5)13-9/h1-3H,(H,13,14)
InChIKeyYOMWTEUVZIMUIL-UHFFFAOYSA-N
MW292.95 g/mol
LogP3.60
Rot. Bonds

About 2-bromo-3,7-dichloro-1H-quinolin-4-one

2-bromo-3,7-dichloro-1H-quinolin-4-one (PubChem CID 174901251) has the molecular formula C9H4BrCl2NO and a molecular weight of 292.95 g/mol. Its IUPAC name is 2-bromo-3,7-dichloro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-bromo-3,7-dichloro-1H-quinolin-4-one
PubChem CID174901251
Molecular FormulaC9H4BrCl2NO
Molecular Weight292.95 g/mol
Exact Mass290.89
IUPAC Name2-bromo-3,7-dichloro-1H-quinolin-4-one
SMILESO=c1c(Cl)c(Br)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H4BrCl2NO/c10-9-7(12)8(14)5-2-1-4(11)3-6(5)13-9/h1-3H,(H,13,14)
InChIKeyYOMWTEUVZIMUIL-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
6-chloro-3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
CID 19090071
7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 115043325
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
8-chloro-4-iodo-3-methoxy-1H-1-benzazepine-2,5-dione
CID 18980002
3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58880554
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
CID 121219727
7-chloro-4-oxo-1H-quinoline-2-carbonitrile
CID 15877340
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2736610
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,7-dichloro-1H-quinolin-4-one?
The IUPAC name of 2-bromo-3,7-dichloro-1H-quinolin-4-one (CID 174901251) is 2-bromo-3,7-dichloro-1H-quinolin-4-one.
What is the SMILES notation for 2-bromo-3,7-dichloro-1H-quinolin-4-one?
The canonical SMILES for 2-bromo-3,7-dichloro-1H-quinolin-4-one is O=c1c(Cl)c(Br)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-bromo-3,7-dichloro-1H-quinolin-4-one?
The InChIKey is YOMWTEUVZIMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NO/c10-9-7(12)8(14)5-2-1-4(11)3-6(5)13-9/h1-3H,(H,13,14).
What are the key properties of 2-bromo-3,7-dichloro-1H-quinolin-4-one?
2-bromo-3,7-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 2-bromo-3,7-dichloro-1H-quinolin-4-one is sourced from PubChem (CID 174901251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).