[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate

C44H26Cl8N4O12 — CID 160861566

IUPAC[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)nn1.COc1c(Cl)ccc(Cl)c1C(=O)Oc1nnc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c2ccccc12
InChIInChI=1S/C24H14Cl4N2O6.C20H12Cl4N2O6/c1-33-19-15(27)9-7-13(25)17(19)23(31)35-21-11-5-3-4-6-12(11)22(30-29-21)36-24(32)18-14(26)8-10-16(28)20(18)34-2;1-29-17-11(23)5-3-9(21)15(17)19(27)31-13-7-8-14(26-25-13)32-20(28)16-10(22)4-6-12(24)18(16)30-2/h3-10H,1-2H3;3-8H,1-2H3
InChIKeySKODNLJYWPRNSJ-UHFFFAOYSA-N
MW1086.33 g/mol
LogP12.24
Rot. Bonds12

About [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate

[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate (PubChem CID 160861566) has the molecular formula C44H26Cl8N4O12 and a molecular weight of 1086.33 g/mol. Its IUPAC name is [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Name[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate
PubChem CID160861566
Molecular FormulaC44H26Cl8N4O12
Molecular Weight1086.33 g/mol
Exact Mass1081.91
IUPAC Name[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)nn1.COc1c(Cl)ccc(Cl)c1C(=O)Oc1nnc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c2ccccc12
InChIInChI=1S/C24H14Cl4N2O6.C20H12Cl4N2O6/c1-33-19-15(27)9-7-13(25)17(19)23(31)35-21-11-5-3-4-6-12(11)22(30-29-21)36-24(32)18-14(26)8-10-16(28)20(18)34-2;1-29-17-11(23)5-3-9(21)15(17)19(27)31-13-7-8-14(26-25-13)32-20(28)16-10(22)4-6-12(24)18(16)30-2/h3-10H,1-2H3;3-8H,1-2H3
InChIKeySKODNLJYWPRNSJ-UHFFFAOYSA-N
XLogP12.24
TPSA193.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.33
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate with MolForge

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Related Compounds

[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
CID 164870455
[(Z)-(1-amino-2-phenylethylidene)amino] 3,6-dichloro-2-methoxybenzoate
CID 164870384
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
[[amino(pyridin-4-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
CID 175558026
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
[2-[N-[1,2-bis[(3,6-dichloro-2-methoxybenzoyl)oxy]ethyl]anilino]-2-(3,6-dichloro-2-methoxybenzoyl)oxyethyl] 3,6-dichloro-2-methoxybenzoate
CID 23621110
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
CID 68783214

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate (CID 160861566) is [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)Oc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2OC)nn1.COc1c(Cl)ccc(Cl)c1C(=O)Oc1nnc(OC(=O)c2c(Cl)ccc(Cl)c2OC)c2ccccc12.
What is the InChIKey of [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate?
The InChIKey is SKODNLJYWPRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4N2O6.C20H12Cl4N2O6/c1-33-19-15(27)9-7-13(25)17(19)23(31)35-21-11-5-3-4-6-12(11)22(30-29-21)36-24(32)18-14(26)8-10-16(28)20(18)34-2;1-29-17-11(23)5-3-9(21)15(17)19(27)31-13-7-8-14(26-25-13)32-20(28)16-10(22)4-6-12(24)18(16)30-2/h3-10H,1-2H3;3-8H,1-2H3.
What are the key properties of [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate?
[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate has a molecular weight of 1086.33 g/mol, XLogP of 12.24, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 160861566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).