6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one

C22H18Cl2N6O — CID 71224163

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
SMILESCc1nn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc12
InChIInChI=1S/C22H18Cl2N6O/c1-12-19-16(21(31)30(29-12)20-17(23)3-2-4-18(20)24)11-26-22(28-19)27-15-6-5-13-7-8-25-10-14(13)9-15/h2-6,9,11,25H,7-8,10H2,1H3,(H,26,27,28)
InChIKeyHQVAPGFBIOJUSQ-UHFFFAOYSA-N
MW453.33 g/mol
LogP4.18
Rot. Bonds3

About 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one

6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one (PubChem CID 71224163) has the molecular formula C22H18Cl2N6O and a molecular weight of 453.33 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
PubChem CID71224163
Molecular FormulaC22H18Cl2N6O
Molecular Weight453.33 g/mol
Exact Mass452.09
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
SMILESCc1nn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc12
InChIInChI=1S/C22H18Cl2N6O/c1-12-19-16(21(31)30(29-12)20-17(23)3-2-4-18(20)24)11-26-22(28-19)27-15-6-5-13-7-8-25-10-14(13)9-15/h2-6,9,11,25H,7-8,10H2,1H3,(H,26,27,28)
InChIKeyHQVAPGFBIOJUSQ-UHFFFAOYSA-N
XLogP4.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71223923
8-cyclopropyl-6-(2,6-dichlorophenyl)-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
CID 71224046
6-(2-chloro-6-fluorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyridazin-5-one
CID 71224160
4-amino-3-(2,6-dichlorophenyl)-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimido[4,5-d]pyrimidin-2-one
CID 58289970
1-(6-chloro-2-pyridinyl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536062
3-(2-chloro-6-fluorophenyl)-2,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[5,4-e][1,3]thiazin-4-one
CID 164779212
8-bromo-6-[2-[3-[6-(2,6-dichlorophenyl)-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-oxopyrido[4,3-d]pyrimidin-8-yl]butyl]-6-methylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrido[4,3-d]pyrimidin-5-one
CID 166160123
3-N-(2,6-difluorophenyl)-1-methyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 142470051
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one
CID 71224554
1-methyl-3-N-phenyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 135377099
6-(2-chloro-6-methylphenyl)-2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]anilino]-8-methylpyrimido[4,5-d]pyridazin-5-one
CID 71223909
1-(3-tert-butylphenyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138523100

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one (CID 71224163) is 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one is Cc1nn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc12.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one?
The InChIKey is HQVAPGFBIOJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N6O/c1-12-19-16(21(31)30(29-12)20-17(23)3-2-4-18(20)24)11-26-22(28-19)27-15-6-5-13-7-8-25-10-14(13)9-15/h2-6,9,11,25H,7-8,10H2,1H3,(H,26,27,28).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one has a molecular weight of 453.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 71224163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).