6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one

C19H12Br2N2O4 — CID 159311769

IUPAC6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one
SMILESO=C(O)c1c[nH]c2ccc(Br)cc2c1=O.O=c1cc[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H6BrNO3.C9H6BrNO/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15;10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-4H,(H,12,13)(H,14,15);1-5H,(H,11,12)
InChIKeyLCQHMPWRZMRHSZ-UHFFFAOYSA-N
MW492.12 g/mol
LogP4.28
Rot. Bonds1

About 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one

6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one (PubChem CID 159311769) has the molecular formula C19H12Br2N2O4 and a molecular weight of 492.12 g/mol. Its IUPAC name is 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one
PubChem CID159311769
Molecular FormulaC19H12Br2N2O4
Molecular Weight492.12 g/mol
Exact Mass489.92
IUPAC Name6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one
SMILESO=C(O)c1c[nH]c2ccc(Br)cc2c1=O.O=c1cc[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H6BrNO3.C9H6BrNO/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15;10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-4H,(H,12,13)(H,14,15);1-5H,(H,11,12)
InChIKeyLCQHMPWRZMRHSZ-UHFFFAOYSA-N
XLogP4.28
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.12
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
6-bromo-3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 86789113
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
3-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 99783009
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one?
The IUPAC name of 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one (CID 159311769) is 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one is O=C(O)c1c[nH]c2ccc(Br)cc2c1=O.O=c1cc[nH]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one?
The InChIKey is LCQHMPWRZMRHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3.C9H6BrNO/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15;10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-4H,(H,12,13)(H,14,15);1-5H,(H,11,12).
What are the key properties of 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one?
6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one has a molecular weight of 492.12 g/mol, XLogP of 4.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one is sourced from PubChem (CID 159311769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).