6-methyl-2-phenoxyquinoline-3-carbaldehyde

C17H13NO2 — CID 54769593

IUPAC6-methyl-2-phenoxyquinoline-3-carbaldehyde
SMILESCc1ccc2nc(Oc3ccccc3)c(C=O)cc2c1
InChIInChI=1S/C17H13NO2/c1-12-7-8-16-13(9-12)10-14(11-19)17(18-16)20-15-5-3-2-4-6-15/h2-11H,1H3
InChIKeyOGCMZSNUZZEWHA-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.15
Rot. Bonds3

About 6-methyl-2-phenoxyquinoline-3-carbaldehyde

6-methyl-2-phenoxyquinoline-3-carbaldehyde (PubChem CID 54769593) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-2-phenoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-phenoxyquinoline-3-carbaldehyde
PubChem CID54769593
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name6-methyl-2-phenoxyquinoline-3-carbaldehyde
SMILESCc1ccc2nc(Oc3ccccc3)c(C=O)cc2c1
InChIInChI=1S/C17H13NO2/c1-12-7-8-16-13(9-12)10-14(11-19)17(18-16)20-15-5-3-2-4-6-15/h2-11H,1H3
InChIKeyOGCMZSNUZZEWHA-UHFFFAOYSA-N
XLogP4.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 6-methyl-2-phenoxyquinoline-3-carbaldehyde?
The IUPAC name of 6-methyl-2-phenoxyquinoline-3-carbaldehyde (CID 54769593) is 6-methyl-2-phenoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-phenoxyquinoline-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-phenoxyquinoline-3-carbaldehyde is Cc1ccc2nc(Oc3ccccc3)c(C=O)cc2c1.
What is the InChIKey of 6-methyl-2-phenoxyquinoline-3-carbaldehyde?
The InChIKey is OGCMZSNUZZEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-7-8-16-13(9-12)10-14(11-19)17(18-16)20-15-5-3-2-4-6-15/h2-11H,1H3.
What are the key properties of 6-methyl-2-phenoxyquinoline-3-carbaldehyde?
6-methyl-2-phenoxyquinoline-3-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 54769593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).