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

C25H21N3O — CID 71149153

IUPAC7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)nc1
InChIInChI=1S/C25H21N3O/c1-17-9-12-23(26-15-17)21-7-4-6-19-16-28(25(29)24(19)21)14-13-20-11-10-18-5-2-3-8-22(18)27-20/h2-12,15H,13-14,16H2,1H3
InChIKeyGMLUAFWYTNPDPF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.80
Rot. Bonds4

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

7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149153) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149153
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESCc1ccc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)nc1
InChIInChI=1S/C25H21N3O/c1-17-9-12-23(26-15-17)21-7-4-6-19-16-28(25(29)24(19)21)14-13-20-11-10-18-5-2-3-8-22(18)27-20/h2-12,15H,13-14,16H2,1H3
InChIKeyGMLUAFWYTNPDPF-UHFFFAOYSA-N
XLogP4.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
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
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149236

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149153) is 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is Cc1ccc(-c2cccc3c2C(=O)N(CCc2ccc4ccccc4n2)C3)nc1.
What is the InChIKey of 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is GMLUAFWYTNPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-9-12-23(26-15-17)21-7-4-6-19-16-28(25(29)24(19)21)14-13-20-11-10-18-5-2-3-8-22(18)27-20/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 379.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).