2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde

C23H18N2O3 — CID 87563485

IUPAC2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
SMILESCc1cc(Oc2ccc3cc(CC=O)ccc3n2)ccc1Oc1ccccn1
InChIInChI=1S/C23H18N2O3/c1-16-14-19(7-9-21(16)28-22-4-2-3-12-24-22)27-23-10-6-18-15-17(11-13-26)5-8-20(18)25-23/h2-10,12-15H,11H2,1H3
InChIKeyCPGNERGPBLSZHW-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.26
Rot. Bonds6

About 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde

2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde (PubChem CID 87563485) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
PubChem CID87563485
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
SMILESCc1cc(Oc2ccc3cc(CC=O)ccc3n2)ccc1Oc1ccccn1
InChIInChI=1S/C23H18N2O3/c1-16-14-19(7-9-21(16)28-22-4-2-3-12-24-22)27-23-10-6-18-15-17(11-13-26)5-8-20(18)25-23/h2-10,12-15H,11H2,1H3
InChIKeyCPGNERGPBLSZHW-UHFFFAOYSA-N
XLogP5.26
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde?
The IUPAC name of 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde (CID 87563485) is 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde?
The canonical SMILES for 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde is Cc1cc(Oc2ccc3cc(CC=O)ccc3n2)ccc1Oc1ccccn1.
What is the InChIKey of 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde?
The InChIKey is CPGNERGPBLSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-16-14-19(7-9-21(16)28-22-4-2-3-12-24-22)27-23-10-6-18-15-17(11-13-26)5-8-20(18)25-23/h2-10,12-15H,11H2,1H3.
What are the key properties of 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde?
2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde has a molecular weight of 370.41 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde is sourced from PubChem (CID 87563485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).