3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one

C25H22N4O — CID 135285342

IUPAC3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one
SMILESNC1(Cc2ccccn2)c2ccccc2C(=O)N1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H22N4O/c26-25(17-20-8-5-6-15-27-20)22-10-3-2-9-21(22)24(30)29(25)16-14-19-13-12-18-7-1-4-11-23(18)28-19/h1-13,15H,14,16-17,26H2
InChIKeyYDBUCDDAQKQBKX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.68
Rot. Bonds5

About 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one

3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one (PubChem CID 135285342) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one.

Molecular Properties

Compound Name3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one
PubChem CID135285342
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one
SMILESNC1(Cc2ccccn2)c2ccccc2C(=O)N1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H22N4O/c26-25(17-20-8-5-6-15-27-20)22-10-3-2-9-21(22)24(30)29(25)16-14-19-13-12-18-7-1-4-11-23(18)28-19/h1-13,15H,14,16-17,26H2
InChIKeyYDBUCDDAQKQBKX-UHFFFAOYSA-N
XLogP3.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)isoindol-1-one
CID 71149559
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
7-bromo-2-(2-quinolin-2-ylethyl)-3-sulfanylideneisoindol-1-one
CID 89314255
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
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
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one?
The IUPAC name of 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one (CID 135285342) is 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one.
What is the SMILES notation for 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one?
The canonical SMILES for 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one is NC1(Cc2ccccn2)c2ccccc2C(=O)N1CCc1ccc2ccccc2n1.
What is the InChIKey of 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one?
The InChIKey is YDBUCDDAQKQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c26-25(17-20-8-5-6-15-27-20)22-10-3-2-9-21(22)24(30)29(25)16-14-19-13-12-18-7-1-4-11-23(18)28-19/h1-13,15H,14,16-17,26H2.
What are the key properties of 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one?
3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one has a molecular weight of 394.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(pyridin-2-ylmethyl)-2-(2-quinolin-2-ylethyl)isoindol-1-one is sourced from PubChem (CID 135285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).