methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate

C20H17ClN2O3 — CID 57076834

IUPACmethyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)c2ccccc2)C1c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O3/c1-12-16(19(24)13-7-4-3-5-8-13)17(14-9-6-10-15(21)11-14)18(23-22-12)20(25)26-2/h3-11,16-17H,1-2H3
InChIKeyBIONQTRUXOCARI-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.93
Rot. Bonds4

About methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate

methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 57076834) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID57076834
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Namemethyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)C1=NN=C(C)C(C(=O)c2ccccc2)C1c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN2O3/c1-12-16(19(24)13-7-4-3-5-8-13)17(14-9-6-10-15(21)11-14)18(23-22-12)20(25)26-2/h3-11,16-17H,1-2H3
InChIKeyBIONQTRUXOCARI-UHFFFAOYSA-N
XLogP3.93
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
CID 57121358
4-(3-chlorophenyl)-5-ethyl-3-methoxycarbonyl-6-methyl-4,6-dihydro-1H-pyridazine-5-carboxylic acid
CID 70576672
5-O-ethyl 3-O-methyl 4-(3-chlorophenyl)-2-methyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54462092
propyl 5-(3-chlorophenyl)-3-methyl-6-[(3-nitrophenyl)carbamoyl]-4,5-dihydropyridazine-4-carboxylate
CID 57075972
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 13276669
methyl (3aR,6aS)-5-(3-chlorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
CID 7493317
4-(3-chlorophenyl)-5-[3-(2-methoxyphenyl)prop-2-enoxycarbonyl]-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
CID 54558931
(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749231
methyl 4-(3-chlorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 18171052
methyl (6S)-2-amino-6-phenyl-6H-1,3,4-thiadiazine-5-carboxylate
CID 40541038
4-benzoyl-5-(3-chlorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 3383735
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate (CID 57076834) is methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate is COC(=O)C1=NN=C(C)C(C(=O)c2ccccc2)C1c1cccc(Cl)c1.
What is the InChIKey of methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is BIONQTRUXOCARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-16(19(24)13-7-4-3-5-8-13)17(14-9-6-10-15(21)11-14)18(23-22-12)20(25)26-2/h3-11,16-17H,1-2H3.
What are the key properties of methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate?
methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzoyl-4-(3-chlorophenyl)-6-methyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 57076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).