6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde

C18H12BrNO2 — CID 59903333

IUPAC6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde
SMILESO=Cc1ccc2cc(-c3ccc(CBr)cc3)cc(C=O)c2n1
InChIInChI=1S/C18H12BrNO2/c19-9-12-1-3-13(4-2-12)15-7-14-5-6-17(11-22)20-18(14)16(8-15)10-21/h1-8,10-11H,9H2
InChIKeyOFQFKHDUIPRZHW-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.42
Rot. Bonds4

About 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde

6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde (PubChem CID 59903333) has the molecular formula C18H12BrNO2 and a molecular weight of 354.20 g/mol. Its IUPAC name is 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde.

Molecular Properties

Compound Name6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde
PubChem CID59903333
Molecular FormulaC18H12BrNO2
Molecular Weight354.20 g/mol
Exact Mass353.01
IUPAC Name6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde
SMILESO=Cc1ccc2cc(-c3ccc(CBr)cc3)cc(C=O)c2n1
InChIInChI=1S/C18H12BrNO2/c19-9-12-1-3-13(4-2-12)15-7-14-5-6-17(11-22)20-18(14)16(8-15)10-21/h1-8,10-11H,9H2
InChIKeyOFQFKHDUIPRZHW-UHFFFAOYSA-N
XLogP4.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde?
The IUPAC name of 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde (CID 59903333) is 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde.
What is the SMILES notation for 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde?
The canonical SMILES for 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde is O=Cc1ccc2cc(-c3ccc(CBr)cc3)cc(C=O)c2n1.
What is the InChIKey of 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde?
The InChIKey is OFQFKHDUIPRZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO2/c19-9-12-1-3-13(4-2-12)15-7-14-5-6-17(11-22)20-18(14)16(8-15)10-21/h1-8,10-11H,9H2.
What are the key properties of 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde?
6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde has a molecular weight of 354.20 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(bromomethyl)phenyl]quinoline-2,8-dicarbaldehyde is sourced from PubChem (CID 59903333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).