6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one

C20H14Br2N2O6S — CID 66811435

IUPAC6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1cc(Br)cc2cc(S(=O)(=O)c3cc4cc(Br)cc(OC)c4[nH]c3=O)c(=O)[nH]c12
InChIInChI=1S/C20H14Br2N2O6S/c1-29-13-7-11(21)3-9-5-15(19(25)23-17(9)13)31(27,28)16-6-10-4-12(22)8-14(30-2)18(10)24-20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVCROTGHCMMDBU-UHFFFAOYSA-N
MW570.22 g/mol
LogP3.74
Rot. Bonds4

About 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one

6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one (PubChem CID 66811435) has the molecular formula C20H14Br2N2O6S and a molecular weight of 570.22 g/mol. Its IUPAC name is 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one
PubChem CID66811435
Molecular FormulaC20H14Br2N2O6S
Molecular Weight570.22 g/mol
Exact Mass567.89
IUPAC Name6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1cc(Br)cc2cc(S(=O)(=O)c3cc4cc(Br)cc(OC)c4[nH]c3=O)c(=O)[nH]c12
InChIInChI=1S/C20H14Br2N2O6S/c1-29-13-7-11(21)3-9-5-15(19(25)23-17(9)13)31(27,28)16-6-10-4-12(22)8-14(30-2)18(10)24-20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVCROTGHCMMDBU-UHFFFAOYSA-N
XLogP3.74
TPSA118.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one (CID 66811435) is 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one is COc1cc(Br)cc2cc(S(=O)(=O)c3cc4cc(Br)cc(OC)c4[nH]c3=O)c(=O)[nH]c12.
What is the InChIKey of 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one?
The InChIKey is CVCROTGHCMMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O6S/c1-29-13-7-11(21)3-9-5-15(19(25)23-17(9)13)31(27,28)16-6-10-4-12(22)8-14(30-2)18(10)24-20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one?
6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one has a molecular weight of 570.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 66811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).