7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C26H23N3O2 — CID 71149236

IUPAC7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCc1ncccc1COc1cccc2c1C(=O)N(CCc1ccc3ccccc3n1)C2
InChIInChI=1S/C26H23N3O2/c1-18-21(8-5-14-27-18)17-31-24-10-4-7-20-16-29(26(30)25(20)24)15-13-22-12-11-19-6-2-3-9-23(19)28-22/h2-12,14H,13,15-17H2,1H3
InChIKeyOGFICQOJXBZHME-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.72
Rot. Bonds6

About 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149236) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149236
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCc1ncccc1COc1cccc2c1C(=O)N(CCc1ccc3ccccc3n1)C2
InChIInChI=1S/C26H23N3O2/c1-18-21(8-5-14-27-18)17-31-24-10-4-7-20-16-29(26(30)25(20)24)15-13-22-12-11-19-6-2-3-9-23(19)28-22/h2-12,14H,13,15-17H2,1H3
InChIKeyOGFICQOJXBZHME-UHFFFAOYSA-N
XLogP4.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149584
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149442
7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149578

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149236) is 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is Cc1ncccc1COc1cccc2c1C(=O)N(CCc1ccc3ccccc3n1)C2.
What is the InChIKey of 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is OGFICQOJXBZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18-21(8-5-14-27-18)17-31-24-10-4-7-20-16-29(26(30)25(20)24)15-13-22-12-11-19-6-2-3-9-23(19)28-22/h2-12,14H,13,15-17H2,1H3.
What are the key properties of 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 409.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).