4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one

C19H20Cl2N4O2 — CID 56584883

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NCC(c3ccco3)N(C)C)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C19H20Cl2N4O2/c1-12-6-7-13(9-14(12)20)25-19(26)18(21)15(10-23-25)22-11-16(24(2)3)17-5-4-8-27-17/h4-10,16,22H,11H2,1-3H3
InChIKeyIORXAWSPXWCSHA-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.16
Rot. Bonds6

About 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one

4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one (PubChem CID 56584883) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
PubChem CID56584883
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
SMILESCc1ccc(-n2ncc(NCC(c3ccco3)N(C)C)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C19H20Cl2N4O2/c1-12-6-7-13(9-14(12)20)25-19(26)18(21)15(10-23-25)22-11-16(24(2)3)17-5-4-8-27-17/h4-10,16,22H,11H2,1-3H3
InChIKeyIORXAWSPXWCSHA-UHFFFAOYSA-N
XLogP4.16
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one (CID 56584883) is 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one is Cc1ccc(-n2ncc(NCC(c3ccco3)N(C)C)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one?
The InChIKey is IORXAWSPXWCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-12-6-7-13(9-14(12)20)25-19(26)18(21)15(10-23-25)22-11-16(24(2)3)17-5-4-8-27-17/h4-10,16,22H,11H2,1-3H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one?
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one has a molecular weight of 407.30 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one is sourced from PubChem (CID 56584883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).