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

C15H13BrFN3O — CID 136509920

IUPAC9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESNc1c2ccc(F)c(Br)c2nc2cn(C3CCC3)c(O)c12
InChIInChI=1S/C15H13BrFN3O/c16-12-9(17)5-4-8-13(18)11-10(19-14(8)12)6-20(15(11)21)7-2-1-3-7/h4-7,21H,1-3,18H2
InChIKeyGGXHCJMAYCMIIF-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.10
Rot. Bonds1

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

9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136509920) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
PubChem CID136509920
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESNc1c2ccc(F)c(Br)c2nc2cn(C3CCC3)c(O)c12
InChIInChI=1S/C15H13BrFN3O/c16-12-9(17)5-4-8-13(18)11-10(19-14(8)12)6-20(15(11)21)7-2-1-3-7/h4-7,21H,1-3,18H2
InChIKeyGGXHCJMAYCMIIF-UHFFFAOYSA-N
XLogP4.10
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.10
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-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (CID 136509920) is 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is Nc1c2ccc(F)c(Br)c2nc2cn(C3CCC3)c(O)c12.
What is the InChIKey of 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is GGXHCJMAYCMIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c16-12-9(17)5-4-8-13(18)11-10(19-14(8)12)6-20(15(11)21)7-2-1-3-7/h4-7,21H,1-3,18H2.
What are the key properties of 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 350.19 g/mol, XLogP of 4.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136509920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).