1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione

C15H11BrClN3O2 — CID 25104352

IUPAC1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2cc(Cl)c3cccc(Br)c3n2)C1=O
InChIInChI=1S/C15H11BrClN3O2/c1-7-8(2)15(22)20(14(7)21)19-12-6-11(17)9-4-3-5-10(16)13(9)18-12/h3-6H,1-2H3,(H,18,19)
InChIKeyMIEDUZSAXGRIJU-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.68
Rot. Bonds2

About 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione

1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 25104352) has the molecular formula C15H11BrClN3O2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione
PubChem CID25104352
Molecular FormulaC15H11BrClN3O2
Molecular Weight380.63 g/mol
Exact Mass378.97
IUPAC Name1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(Nc2cc(Cl)c3cccc(Br)c3n2)C1=O
InChIInChI=1S/C15H11BrClN3O2/c1-7-8(2)15(22)20(14(7)21)19-12-6-11(17)9-4-3-5-10(16)13(9)18-12/h3-6H,1-2H3,(H,18,19)
InChIKeyMIEDUZSAXGRIJU-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione (CID 25104352) is 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(Nc2cc(Cl)c3cccc(Br)c3n2)C1=O.
What is the InChIKey of 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is MIEDUZSAXGRIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2/c1-7-8(2)15(22)20(14(7)21)19-12-6-11(17)9-4-3-5-10(16)13(9)18-12/h3-6H,1-2H3,(H,18,19).
What are the key properties of 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione?
1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 380.63 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-bromo-4-chloroquinolin-2-yl)amino]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 25104352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).