9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol

C12H9BrFN3O — CID 136626534

IUPAC9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol
SMILESCn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C12H9BrFN3O/c1-17-4-7-8(12(17)18)10(15)5-2-3-6(14)9(13)11(5)16-7/h2-4,18H,15H2,1H3
InChIKeyGZIQDMDFWGMEIQ-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.92
Rot. Bonds

About 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136626534) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136626534
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol
SMILESCn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C12H9BrFN3O/c1-17-4-7-8(12(17)18)10(15)5-2-3-6(14)9(13)11(5)16-7/h2-4,18H,15H2,1H3
InChIKeyGZIQDMDFWGMEIQ-UHFFFAOYSA-N
XLogP2.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol (CID 136626534) is 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol is Cn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is GZIQDMDFWGMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c1-17-4-7-8(12(17)18)10(15)5-2-3-6(14)9(13)11(5)16-7/h2-4,18H,15H2,1H3.
What are the key properties of 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 310.13 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136626534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).