2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one

C24H17F2N3O — CID 71149217

IUPAC2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2ccncc2)CN1CC(F)(F)c1ccc2ccccc2n1
InChIInChI=1S/C24H17F2N3O/c25-24(26,21-9-8-17-4-1-2-7-20(17)28-21)15-29-14-18-5-3-6-19(22(18)23(29)30)16-10-12-27-13-11-16/h1-13H,14-15H2
InChIKeyIKEAEYSWAGRCKF-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.04
Rot. Bonds4

About 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one

2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one (PubChem CID 71149217) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one
PubChem CID71149217
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2ccncc2)CN1CC(F)(F)c1ccc2ccccc2n1
InChIInChI=1S/C24H17F2N3O/c25-24(26,21-9-8-17-4-1-2-7-20(17)28-21)15-29-14-18-5-3-6-19(22(18)23(29)30)16-10-12-27-13-11-16/h1-13H,14-15H2
InChIKeyIKEAEYSWAGRCKF-UHFFFAOYSA-N
XLogP5.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 89314281
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
2-[2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]ethyl]-7-pyridin-4-yl-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 71149155
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
3,3-difluoro-7-pyridin-4-yl-2-(2-quinolin-2-ylethyl)isoindol-1-one
CID 71149559
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
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-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one?
The IUPAC name of 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one (CID 71149217) is 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one?
The canonical SMILES for 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one is O=C1c2c(cccc2-c2ccncc2)CN1CC(F)(F)c1ccc2ccccc2n1.
What is the InChIKey of 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one?
The InChIKey is IKEAEYSWAGRCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c25-24(26,21-9-8-17-4-1-2-7-20(17)28-21)15-29-14-18-5-3-6-19(22(18)23(29)30)16-10-12-27-13-11-16/h1-13H,14-15H2.
What are the key properties of 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one?
2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one has a molecular weight of 401.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-2-quinolin-2-ylethyl)-7-pyridin-4-yl-3H-isoindol-1-one is sourced from PubChem (CID 71149217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).