8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one

C20H13Cl2N3O — CID 141219323

IUPAC8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1nn2c(=O)cc(-c3ccccc3)nc2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N3O/c1-12-16(15-8-7-14(21)9-17(15)22)10-19-23-18(11-20(26)25(19)24-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYAFWUBKYQZPHIW-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.04
Rot. Bonds2

About 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one

8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 141219323) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
PubChem CID141219323
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC Name8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1nn2c(=O)cc(-c3ccccc3)nc2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2N3O/c1-12-16(15-8-7-14(21)9-17(15)22)10-19-23-18(11-20(26)25(19)24-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYAFWUBKYQZPHIW-UHFFFAOYSA-N
XLogP5.04
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
CID 13280782
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16641334
8-(2,4-dichlorophenyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135536735
2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 18385345
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
CID 56658759
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-8-methyl-6-phenylimidazo[1,2-a]pyrazine
CID 24995726
6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one (CID 141219323) is 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one is Cc1nn2c(=O)cc(-c3ccccc3)nc2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one?
The InChIKey is YAFWUBKYQZPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c1-12-16(15-8-7-14(21)9-17(15)22)10-19-23-18(11-20(26)25(19)24-12)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one?
8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 382.25 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 141219323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).