9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

C17H18BrN3O — CID 174598114

IUPAC9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESNc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2C=O
InChIInChI=1S/C17H18BrN3O/c18-12-7-3-6-11-16(19)15-13(20-17(11)12)8-21(14(15)9-22)10-4-1-2-5-10/h3,6-7,9-10,14H,1-2,4-5,8H2,(H2,19,20)
InChIKeyURCSWSOEEIYDQL-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.58
Rot. Bonds2

About 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174598114) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174598114
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESNc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2C=O
InChIInChI=1S/C17H18BrN3O/c18-12-7-3-6-11-16(19)15-13(20-17(11)12)8-21(14(15)9-22)10-4-1-2-5-10/h3,6-7,9-10,14H,1-2,4-5,8H2,(H2,19,20)
InChIKeyURCSWSOEEIYDQL-UHFFFAOYSA-N
XLogP3.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174598114) is 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is Nc1c2c(nc3c(Br)cccc13)CN(C1CCCC1)C2C=O.
What is the InChIKey of 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is URCSWSOEEIYDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-12-7-3-6-11-16(19)15-13(20-17(11)12)8-21(14(15)9-22)10-4-1-2-5-10/h3,6-7,9-10,14H,1-2,4-5,8H2,(H2,19,20).
What are the key properties of 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 360.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174598114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).