7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C25H21N3O2 — CID 71149243

IUPAC7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCOc1cncc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)c1
InChIInChI=1S/C25H21N3O2/c1-30-21-13-19(14-26-15-21)22-7-4-6-18-16-28(25(29)24(18)22)12-11-20-10-9-17-5-2-3-8-23(17)27-20/h2-10,13-15H,11-12,16H2,1H3
InChIKeyAPJJZOWZBXOUGJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.50
Rot. Bonds5

About 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149243) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149243
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCOc1cncc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)c1
InChIInChI=1S/C25H21N3O2/c1-30-21-13-19(14-26-15-21)22-7-4-6-18-16-28(25(29)24(18)22)12-11-20-10-9-17-5-2-3-8-23(17)27-20/h2-10,13-15H,11-12,16H2,1H3
InChIKeyAPJJZOWZBXOUGJ-UHFFFAOYSA-N
XLogP4.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149243) is 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is COc1cncc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is APJJZOWZBXOUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-21-13-19(14-26-15-21)22-7-4-6-18-16-28(25(29)24(18)22)12-11-20-10-9-17-5-2-3-8-23(17)27-20/h2-10,13-15H,11-12,16H2,1H3.
What are the key properties of 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 395.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).