N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine

C26H24N6O2 — CID 108779054

IUPACN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3cc(C)nn3-c3cc(C)c4cccc(OC)c4n3)nn2)cc1
InChIInChI=1S/C26H24N6O2/c1-16-14-24(28-26-20(16)6-5-7-22(26)34-4)32-25(15-17(2)31-32)27-23-13-12-21(29-30-23)18-8-10-19(33-3)11-9-18/h5-15H,1-4H3,(H,27,30)
InChIKeyKUGHONXMFWRSKT-UHFFFAOYSA-N
MW452.52 g/mol
LogP5.26
Rot. Bonds6

About N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine (PubChem CID 108779054) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine
PubChem CID108779054
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3cc(C)nn3-c3cc(C)c4cccc(OC)c4n3)nn2)cc1
InChIInChI=1S/C26H24N6O2/c1-16-14-24(28-26-20(16)6-5-7-22(26)34-4)32-25(15-17(2)31-32)27-23-13-12-21(29-30-23)18-8-10-19(33-3)11-9-18/h5-15H,1-4H3,(H,27,30)
InChIKeyKUGHONXMFWRSKT-UHFFFAOYSA-N
XLogP5.26
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
CID 108779051
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 108747073
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 108747115
methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
CID 108747124
4-(4-chlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 108769248
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108769239
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
1-(3-chlorophenyl)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108779030
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801057
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108779379

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine (CID 108779054) is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine is COc1ccc(-c2ccc(Nc3cc(C)nn3-c3cc(C)c4cccc(OC)c4n3)nn2)cc1.
What is the InChIKey of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine?
The InChIKey is KUGHONXMFWRSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-16-14-24(28-26-20(16)6-5-7-22(26)34-4)32-25(15-17(2)31-32)27-23-13-12-21(29-30-23)18-8-10-19(33-3)11-9-18/h5-15H,1-4H3,(H,27,30).
What are the key properties of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine?
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine has a molecular weight of 452.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 108779054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).