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

C13H11BrFN3O — CID 136657661

IUPAC9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C13H11BrFN3O/c1-2-18-5-8-9(13(18)19)11(16)6-3-4-7(15)10(14)12(6)17-8/h3-5,19H,2,16H2,1H3
InChIKeyRHTUWDGWRKCTTD-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.40
Rot. Bonds1

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

9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136657661) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
PubChem CID136657661
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C13H11BrFN3O/c1-2-18-5-8-9(13(18)19)11(16)6-3-4-7(15)10(14)12(6)17-8/h3-5,19H,2,16H2,1H3
InChIKeyRHTUWDGWRKCTTD-UHFFFAOYSA-N
XLogP3.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.40
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-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol (CID 136657661) is 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is CCn1cc2nc3c(Br)c(F)ccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is RHTUWDGWRKCTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-2-18-5-8-9(13(18)19)11(16)6-3-4-7(15)10(14)12(6)17-8/h3-5,19H,2,16H2,1H3.
What are the key properties of 9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 324.15 g/mol, XLogP of 3.40, 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-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136657661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).