6-bromo-1,4-dihydroquinoline-2,3-dione

C9H6BrNO2 — CID 58064696

IUPAC6-bromo-1,4-dihydroquinoline-2,3-dione
SMILESO=C1Cc2cc(Br)ccc2NC1=O
InChIInChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-3H,4H2,(H,11,13)
InChIKeyCRZQDIRZKDQXEP-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.51
Rot. Bonds

About 6-bromo-1,4-dihydroquinoline-2,3-dione

6-bromo-1,4-dihydroquinoline-2,3-dione (PubChem CID 58064696) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-1,4-dihydroquinoline-2,3-dione.

Molecular Properties

Compound Name6-bromo-1,4-dihydroquinoline-2,3-dione
PubChem CID58064696
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromo-1,4-dihydroquinoline-2,3-dione
SMILESO=C1Cc2cc(Br)ccc2NC1=O
InChIInChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-3H,4H2,(H,11,13)
InChIKeyCRZQDIRZKDQXEP-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dihydro-1,6-naphthyridine-2,3-dione
CID 58564732
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
7-tert-butyl-1,4-dihydroquinoline-2,3-dione
CID 59151703
7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione
CID 158338689
(3E)-5-bromo-3-(2-oxocycloheptylidene)-1H-indol-2-one
CID 54610598
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
CID 145241657
5-bromo-2,3-dihydroinden-1-one
CID 161015201
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
5-bromo-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
CID 135412424
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione
CID 77040438

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dihydroquinoline-2,3-dione?
The IUPAC name of 6-bromo-1,4-dihydroquinoline-2,3-dione (CID 58064696) is 6-bromo-1,4-dihydroquinoline-2,3-dione.
What is the SMILES notation for 6-bromo-1,4-dihydroquinoline-2,3-dione?
The canonical SMILES for 6-bromo-1,4-dihydroquinoline-2,3-dione is O=C1Cc2cc(Br)ccc2NC1=O.
What is the InChIKey of 6-bromo-1,4-dihydroquinoline-2,3-dione?
The InChIKey is CRZQDIRZKDQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-3H,4H2,(H,11,13).
What are the key properties of 6-bromo-1,4-dihydroquinoline-2,3-dione?
6-bromo-1,4-dihydroquinoline-2,3-dione has a molecular weight of 240.06 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4-dihydroquinoline-2,3-dione is sourced from PubChem (CID 58064696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).