6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one

C26H18Br2N2O4 — CID 155927032

IUPAC6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one
SMILESCc1ccc(C(c2c(O)c3cc(Br)ccc3[nH]c2=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)cc1
InChIInChI=1S/C26H18Br2N2O4/c1-12-2-4-13(5-3-12)20(21-23(31)16-10-14(27)6-8-18(16)29-25(21)33)22-24(32)17-11-15(28)7-9-19(17)30-26(22)34/h2-11,20H,1H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyCUOOQVGJTKLAJA-UHFFFAOYSA-N
MW582.25 g/mol
LogP5.79
Rot. Bonds3

About 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one

6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 155927032) has the molecular formula C26H18Br2N2O4 and a molecular weight of 582.25 g/mol. Its IUPAC name is 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID155927032
Molecular FormulaC26H18Br2N2O4
Molecular Weight582.25 g/mol
Exact Mass579.96
IUPAC Name6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one
SMILESCc1ccc(C(c2c(O)c3cc(Br)ccc3[nH]c2=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)cc1
InChIInChI=1S/C26H18Br2N2O4/c1-12-2-4-13(5-3-12)20(21-23(31)16-10-14(27)6-8-18(16)29-25(21)33)22-24(32)17-11-15(28)7-9-19(17)30-26(22)34/h2-11,20H,1H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyCUOOQVGJTKLAJA-UHFFFAOYSA-N
XLogP5.79
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.25
LogP ≤ 55.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one (CID 155927032) is 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one is Cc1ccc(C(c2c(O)c3cc(Br)ccc3[nH]c2=O)c2c(O)c3cc(Br)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is CUOOQVGJTKLAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2N2O4/c1-12-2-4-13(5-3-12)20(21-23(31)16-10-14(27)6-8-18(16)29-25(21)33)22-24(32)17-11-15(28)7-9-19(17)30-26(22)34/h2-11,20H,1H3,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one?
6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 582.25 g/mol, XLogP of 5.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(6-bromo-4-hydroxy-2-oxo-1H-quinolin-3-yl)-(4-methylphenyl)methyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 155927032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).