5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

C11H12BrNO2 — CID 172598355

IUPAC5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1CCCc2c1cc(O)c(C=O)c2Br
InChIInChI=1S/C11H12BrNO2/c1-13-4-2-3-7-9(13)5-10(15)8(6-14)11(7)12/h5-6,15H,2-4H2,1H3
InChIKeyHXODUEALPUGKPG-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (PubChem CID 172598355) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
PubChem CID172598355
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1CCCc2c1cc(O)c(C=O)c2Br
InChIInChI=1S/C11H12BrNO2/c1-13-4-2-3-7-9(13)5-10(15)8(6-14)11(7)12/h5-6,15H,2-4H2,1H3
InChIKeyHXODUEALPUGKPG-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (CID 172598355) is 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is CN1CCCc2c1cc(O)c(C=O)c2Br.
What is the InChIKey of 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The InChIKey is HXODUEALPUGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-13-4-2-3-7-9(13)5-10(15)8(6-14)11(7)12/h5-6,15H,2-4H2,1H3.
What are the key properties of 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde has a molecular weight of 270.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is sourced from PubChem (CID 172598355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).