9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

C12H10BrN3O — CID 67485495

IUPAC9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCN1Cc2nc3c(Br)cccc3c(N)c2C1=O
InChIInChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyVVADIULOIJGURJ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.17
Rot. Bonds

About 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67485495) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67485495
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCN1Cc2nc3c(Br)cccc3c(N)c2C1=O
InChIInChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyVVADIULOIJGURJ-UHFFFAOYSA-N
XLogP2.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67485495) is 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is CN1Cc2nc3c(Br)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is VVADIULOIJGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-16-5-8-9(12(16)17)10(14)6-3-2-4-7(13)11(6)15-8/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 292.14 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67485495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).