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

C14H11BrFN3O — CID 136614628

IUPAC9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESNc1c2ccc(F)c(Br)c2nc2cn(C3CC3)c(O)c12
InChIInChI=1S/C14H11BrFN3O/c15-11-8(16)4-3-7-12(17)10-9(18-13(7)11)5-19(14(10)20)6-1-2-6/h3-6,20H,1-2,17H2
InChIKeyBFZLZPATYDSJIC-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.71
Rot. Bonds1

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

9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136614628) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
PubChem CID136614628
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESNc1c2ccc(F)c(Br)c2nc2cn(C3CC3)c(O)c12
InChIInChI=1S/C14H11BrFN3O/c15-11-8(16)4-3-7-12(17)10-9(18-13(7)11)5-19(14(10)20)6-1-2-6/h3-6,20H,1-2,17H2
InChIKeyBFZLZPATYDSJIC-UHFFFAOYSA-N
XLogP3.71
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.71
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-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (CID 136614628) is 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is Nc1c2ccc(F)c(Br)c2nc2cn(C3CC3)c(O)c12.
What is the InChIKey of 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is BFZLZPATYDSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-11-8(16)4-3-7-12(17)10-9(18-13(7)11)5-19(14(10)20)6-1-2-6/h3-6,20H,1-2,17H2.
What are the key properties of 9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 336.16 g/mol, XLogP of 3.71, 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-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136614628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).