3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde

C20H19NO4 — CID 2995696

IUPAC3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCCOc1cccc2cccnc12
InChIInChI=1S/C20H19NO4/c1-23-18-10-3-7-16(14-22)20(18)25-13-5-12-24-17-9-2-6-15-8-4-11-21-19(15)17/h2-4,6-11,14H,5,12-13H2,1H3
InChIKeyCALGLCJSAWODOR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.90
Rot. Bonds8

About 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde

3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde (PubChem CID 2995696) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde
PubChem CID2995696
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCCOc1cccc2cccnc12
InChIInChI=1S/C20H19NO4/c1-23-18-10-3-7-16(14-22)20(18)25-13-5-12-24-17-9-2-6-15-8-4-11-21-19(15)17/h2-4,6-11,14H,5,12-13H2,1H3
InChIKeyCALGLCJSAWODOR-UHFFFAOYSA-N
XLogP3.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde (CID 2995696) is 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde is COc1cccc(C=O)c1OCCCOc1cccc2cccnc12.
What is the InChIKey of 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
The InChIKey is CALGLCJSAWODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-18-10-3-7-16(14-22)20(18)25-13-5-12-24-17-9-2-6-15-8-4-11-21-19(15)17/h2-4,6-11,14H,5,12-13H2,1H3.
What are the key properties of 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde?
3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde has a molecular weight of 337.38 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-quinolin-8-yloxypropoxy)benzaldehyde is sourced from PubChem (CID 2995696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).