2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

C25H24N4O2 — CID 71152577

IUPAC2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESCOc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)c(OC)nn1
InChIInChI=1S/C25H24N4O2/c1-30-24-14-21(25(31-2)28-27-24)20-8-5-7-18-15-29(16-22(18)20)13-12-19-11-10-17-6-3-4-9-23(17)26-19/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyBVMOSADNYKLRKL-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.27
Rot. Bonds6

About 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (PubChem CID 71152577) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
PubChem CID71152577
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESCOc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)c(OC)nn1
InChIInChI=1S/C25H24N4O2/c1-30-24-14-21(25(31-2)28-27-24)20-8-5-7-18-15-29(16-22(18)20)13-12-19-11-10-17-6-3-4-9-23(17)26-19/h3-11,14H,12-13,15-16H2,1-2H3
InChIKeyBVMOSADNYKLRKL-UHFFFAOYSA-N
XLogP4.27
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 123740790
2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 141362054
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152219
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
CID 141362078
2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152387
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (CID 71152577) is 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is COc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)c(OC)nn1.
What is the InChIKey of 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The InChIKey is BVMOSADNYKLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-24-14-21(25(31-2)28-27-24)20-8-5-7-18-15-29(16-22(18)20)13-12-19-11-10-17-6-3-4-9-23(17)26-19/h3-11,14H,12-13,15-16H2,1-2H3.
What are the key properties of 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline has a molecular weight of 412.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is sourced from PubChem (CID 71152577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).