8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione

C19H13BrN2O2 — CID 23645153

IUPAC8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O
InChIInChI=1S/C19H13BrN2O2/c1-10-5-3-4-6-15(10)22-18(23)16-11(2)21-14-8-7-12(20)9-13(14)17(16)19(22)24/h3-9H,1-2H3
InChIKeyMYCILVXGXKNCJN-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.41
Rot. Bonds1

About 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione

8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 23645153) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID23645153
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O
InChIInChI=1S/C19H13BrN2O2/c1-10-5-3-4-6-15(10)22-18(23)16-11(2)21-14-8-7-12(20)9-13(14)17(16)19(22)24/h3-9H,1-2H3
InChIKeyMYCILVXGXKNCJN-UHFFFAOYSA-N
XLogP4.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione (CID 23645153) is 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione is Cc1ccccc1N1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O.
What is the InChIKey of 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is MYCILVXGXKNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c1-10-5-3-4-6-15(10)22-18(23)16-11(2)21-14-8-7-12(20)9-13(14)17(16)19(22)24/h3-9H,1-2H3.
What are the key properties of 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione?
8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 381.23 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methyl-2-(2-methylphenyl)pyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 23645153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).