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

C16H16BrN3O — CID 69242098

IUPAC9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESNc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2=O
InChIInChI=1S/C16H16BrN3O/c17-11-7-3-6-10-14(18)13-12(19-15(10)11)8-20(16(13)21)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,18,19)
InChIKeyRAMLCGMTDAEHFS-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.48
Rot. Bonds1

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

9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 69242098) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID69242098
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESNc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2=O
InChIInChI=1S/C16H16BrN3O/c17-11-7-3-6-10-14(18)13-12(19-15(10)11)8-20(16(13)21)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,18,19)
InChIKeyRAMLCGMTDAEHFS-UHFFFAOYSA-N
XLogP3.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.48
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-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 69242098) is 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one is Nc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2=O.
What is the InChIKey of 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is RAMLCGMTDAEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-11-7-3-6-10-14(18)13-12(19-15(10)11)8-20(16(13)21)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,18,19).
What are the key properties of 9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-bromo-2-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 346.23 g/mol, XLogP of 3.48, 1 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-cyclopentyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69242098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).