dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate

C25H19ClN2O5 — CID 171983975

IUPACdimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccc(Cl)cc2)C1C(=O)OC
InChIInChI=1S/C25H19ClN2O5/c1-32-24(30)20-14-21(23(29)17-8-7-15-5-3-4-6-16(15)13-17)27-28(22(20)25(31)33-2)19-11-9-18(26)10-12-19/h3-14,22H,1-2H3
InChIKeyDBVSTNPWRKHVFY-UHFFFAOYSA-N
MW462.89 g/mol
LogP4.19
Rot. Bonds5

About dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate

dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate (PubChem CID 171983975) has the molecular formula C25H19ClN2O5 and a molecular weight of 462.89 g/mol. Its IUPAC name is dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate
PubChem CID171983975
Molecular FormulaC25H19ClN2O5
Molecular Weight462.89 g/mol
Exact Mass462.10
IUPAC Namedimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccc(Cl)cc2)C1C(=O)OC
InChIInChI=1S/C25H19ClN2O5/c1-32-24(30)20-14-21(23(29)17-8-7-15-5-3-4-6-16(15)13-17)27-28(22(20)25(31)33-2)19-11-9-18(26)10-12-19/h3-14,22H,1-2H3
InChIKeyDBVSTNPWRKHVFY-UHFFFAOYSA-N
XLogP4.19
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl-6-(4-chlorobenzoyl)-2-phenyl-2,3-dihydropyridazine-3,4-dicarboxylate
CID 2813311
Dimethyl-6-(4-chlorobenzoyl)-2-(4-methylphenyl)-2,3-dihydropyridazine-3,4-dicarboxylate
CID 146171533
dimethyl (3R)-6-(naphthalene-2-carbonyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
CID 1211346
dimethyl (3S)-6-(naphthalene-2-carbonyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
CID 1211347
Dimethyl 2-(4-chlorophenyl)-6-(phenylcarbonyl)-2,3-dihydropyridazine-3,4-dicarboxylate
CID 5304947
dimethyl (3R)-6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
CID 6975972
dimethyl (3S)-6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
CID 6975973
dimethyl (3S)-6-benzoyl-2-(4-chlorophenyl)-3H-pyridazine-3,4-dicarboxylate
CID 7354109
dimethyl (3R)-6-benzoyl-2-(4-chlorophenyl)-3H-pyridazine-3,4-dicarboxylate
CID 7354110
dimethyl 6-(4-acetylbenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
CID 11327607
Dimethyl 6-(2-naphthoyl)-2-phenyl-2,3-dihydro-3,4-pyridazinedicarboxylate
CID 11837065

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate (CID 171983975) is dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate is COC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccc(Cl)cc2)C1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate?
The InChIKey is DBVSTNPWRKHVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O5/c1-32-24(30)20-14-21(23(29)17-8-7-15-5-3-4-6-16(15)13-17)27-28(22(20)25(31)33-2)19-11-9-18(26)10-12-19/h3-14,22H,1-2H3.
What are the key properties of dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate?
dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate has a molecular weight of 462.89 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-chlorophenyl)-6-(naphthalene-2-carbonyl)-3H-pyridazine-3,4-dicarboxylate is sourced from PubChem (CID 171983975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).