2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine

C24H22N4O2 — CID 143611176

IUPAC2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine
SMILESC=C(COc1ccnc2cc(OC)ccc12)n1nc(-c2ccccc2)cc/c1=N\C
InChIInChI=1S/C24H22N4O2/c1-17(16-30-23-13-14-26-22-15-19(29-3)9-10-20(22)23)28-24(25-2)12-11-21(27-28)18-7-5-4-6-8-18/h4-15H,1,16H2,2-3H3/b25-24+
InChIKeyCPBSXPVHHBFFDO-OCOZRVBESA-N
MW398.47 g/mol
LogP4.19
Rot. Bonds6

About 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine

2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine (PubChem CID 143611176) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine.

Molecular Properties

Compound Name2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine
PubChem CID143611176
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine
SMILESC=C(COc1ccnc2cc(OC)ccc12)n1nc(-c2ccccc2)cc/c1=N\C
InChIInChI=1S/C24H22N4O2/c1-17(16-30-23-13-14-26-22-15-19(29-3)9-10-20(22)23)28-24(25-2)12-11-21(27-28)18-7-5-4-6-8-18/h4-15H,1,16H2,2-3H3/b25-24+
InChIKeyCPBSXPVHHBFFDO-OCOZRVBESA-N
XLogP4.19
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine with MolForge

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Related Compounds

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-[(6-phenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-3-yl)methoxy]quinoline
CID 24771761
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 25019685
3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 25064305
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 24864824
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816
N-(furan-2-ylmethyl)-2-(7-methoxyquinolin-4-yl)oxyacetamide
CID 56795574
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine?
The IUPAC name of 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine (CID 143611176) is 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine.
What is the SMILES notation for 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine?
The canonical SMILES for 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine is C=C(COc1ccnc2cc(OC)ccc12)n1nc(-c2ccccc2)cc/c1=N\C.
What is the InChIKey of 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine?
The InChIKey is CPBSXPVHHBFFDO-OCOZRVBESA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(16-30-23-13-14-26-22-15-19(29-3)9-10-20(22)23)28-24(25-2)12-11-21(27-28)18-7-5-4-6-8-18/h4-15H,1,16H2,2-3H3/b25-24+.
What are the key properties of 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine?
2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine has a molecular weight of 398.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methoxyquinolin-4-yl)oxyprop-1-en-2-yl]-N-methyl-6-phenylpyridazin-3-imine is sourced from PubChem (CID 143611176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).