5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde

C23H18N2O4 — CID 53234179

IUPAC5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(Oc2c(C=O)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H18N2O4/c1-28-19-9-11-20(12-10-19)29-22-18(15-26)13-24-25(23(22)27)14-17-7-4-6-16-5-2-3-8-21(16)17/h2-13,15H,14H2,1H3
InChIKeyWAPRVUGERNDNMN-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.06
Rot. Bonds6

About 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde

5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde (PubChem CID 53234179) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde
PubChem CID53234179
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(Oc2c(C=O)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H18N2O4/c1-28-19-9-11-20(12-10-19)29-22-18(15-26)13-24-25(23(22)27)14-17-7-4-6-16-5-2-3-8-21(16)17/h2-13,15H,14H2,1H3
InChIKeyWAPRVUGERNDNMN-UHFFFAOYSA-N
XLogP4.06
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde (CID 53234179) is 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde is COc1ccc(Oc2c(C=O)cnn(Cc3cccc4ccccc34)c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde?
The InChIKey is WAPRVUGERNDNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-19-9-11-20(12-10-19)29-22-18(15-26)13-24-25(23(22)27)14-17-7-4-6-16-5-2-3-8-21(16)17/h2-13,15H,14H2,1H3.
What are the key properties of 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde?
5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde has a molecular weight of 386.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 53234179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).