2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde

C16H18N2O4 — CID 82447663

IUPAC2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOCCn1nc(-c2ccc(OC)c(C)c2)cc(C=O)c1=O
InChIInChI=1S/C16H18N2O4/c1-11-8-12(4-5-15(11)22-3)14-9-13(10-19)16(20)18(17-14)6-7-21-2/h4-5,8-10H,6-7H2,1-3H3
InChIKeySPWUGTRICMNNBN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.69
Rot. Bonds6

About 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde

2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82447663) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82447663
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOCCn1nc(-c2ccc(OC)c(C)c2)cc(C=O)c1=O
InChIInChI=1S/C16H18N2O4/c1-11-8-12(4-5-15(11)22-3)14-9-13(10-19)16(20)18(17-14)6-7-21-2/h4-5,8-10H,6-7H2,1-3H3
InChIKeySPWUGTRICMNNBN-UHFFFAOYSA-N
XLogP1.69
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.69
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 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde (CID 82447663) is 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde is COCCn1nc(-c2ccc(OC)c(C)c2)cc(C=O)c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is SPWUGTRICMNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-8-12(4-5-15(11)22-3)14-9-13(10-19)16(20)18(17-14)6-7-21-2/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82447663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).