4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C22H21Cl2N3O2 — CID 12688600

IUPAC4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN(C)C)c1=O
InChIInChI=1S/C22H21Cl2N3O2/c1-14(28)19-20(15-4-8-17(23)9-5-15)21(16-6-10-18(24)11-7-16)25-27(22(19)29)13-12-26(2)3/h4-11H,12-13H2,1-3H3
InChIKeyCNYCNXINDBJERZ-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.65
Rot. Bonds6

About 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one

4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 12688600) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID12688600
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN(C)C)c1=O
InChIInChI=1S/C22H21Cl2N3O2/c1-14(28)19-20(15-4-8-17(23)9-5-15)21(16-6-10-18(24)11-7-16)25-27(22(19)29)13-12-26(2)3/h4-11H,12-13H2,1-3H3
InChIKeyCNYCNXINDBJERZ-UHFFFAOYSA-N
XLogP4.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-(2'-hydroxyethyl)-5,6-bis(4-chlorophenyl)-2H-pyridazin-3-one
CID 100711
5-Acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone
CID 439087
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
4-Acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 336676
4-Acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide
CID 12688606
3(2H)-Pyridazinone, 4-acetyl-5,6-bis(4-chlorophenyl)-2-(2-(formyloxy)ethyl)-
CID 3061054
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 5046062
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4573998
4-Acetyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3-one
CID 336606
N-{2-[5-Acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]ethyl}acetamide
CID 336672

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 12688600) is 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN(C)C)c1=O.
What is the InChIKey of 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is CNYCNXINDBJERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c1-14(28)19-20(15-4-8-17(23)9-5-15)21(16-6-10-18(24)11-7-16)25-27(22(19)29)13-12-26(2)3/h4-11H,12-13H2,1-3H3.
What are the key properties of 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 430.34 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5,6-bis(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 12688600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).