methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate

C15H11BrN2O4 — CID 23645149

IUPACmethyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O
InChIInChI=1S/C15H11BrN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3
InChIKeyUXWHYTWFUNVMOR-UHFFFAOYSA-N
MW363.17 g/mol
LogP2.07
Rot. Bonds2

About methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate

methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate (PubChem CID 23645149) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
PubChem CID23645149
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC Namemethyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O
InChIInChI=1S/C15H11BrN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3
InChIKeyUXWHYTWFUNVMOR-UHFFFAOYSA-N
XLogP2.07
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The IUPAC name of methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate (CID 23645149) is methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate is COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O.
What is the InChIKey of methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The InChIKey is UXWHYTWFUNVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c1-7-12-13(9-5-8(16)3-4-10(9)17-7)15(21)18(14(12)20)6-11(19)22-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate has a molecular weight of 363.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-bromo-4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate is sourced from PubChem (CID 23645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).