2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde

C17H12ClNO2 — CID 54769797

IUPAC2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde
SMILESCc1ccc2nc(Oc3ccc(Cl)cc3)c(C=O)cc2c1
InChIInChI=1S/C17H12ClNO2/c1-11-2-7-16-12(8-11)9-13(10-20)17(19-16)21-15-5-3-14(18)4-6-15/h2-10H,1H3
InChIKeyVBQXHCSHONVHAE-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.80
Rot. Bonds3

About 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde

2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde (PubChem CID 54769797) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde
PubChem CID54769797
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde
SMILESCc1ccc2nc(Oc3ccc(Cl)cc3)c(C=O)cc2c1
InChIInChI=1S/C17H12ClNO2/c1-11-2-7-16-12(8-11)9-13(10-20)17(19-16)21-15-5-3-14(18)4-6-15/h2-10H,1H3
InChIKeyVBQXHCSHONVHAE-UHFFFAOYSA-N
XLogP4.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.80
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 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde (CID 54769797) is 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde is Cc1ccc2nc(Oc3ccc(Cl)cc3)c(C=O)cc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde?
The InChIKey is VBQXHCSHONVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11-2-7-16-12(8-11)9-13(10-20)17(19-16)21-15-5-3-14(18)4-6-15/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde?
2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde has a molecular weight of 297.74 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-6-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 54769797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).