4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide

C24H16FN3O2 — CID 122639250

IUPAC4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccc3ncccc3c2)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C24H16FN3O2/c25-17-6-3-14(4-7-17)23(29)28-21-10-8-18(19-13-27-24(30)22(19)21)15-5-9-20-16(12-15)2-1-11-26-20/h1-12H,13H2,(H,27,30)(H,28,29)
InChIKeyWBACSOQRAABZPF-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.54
Rot. Bonds3

About 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide

4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide (PubChem CID 122639250) has the molecular formula C24H16FN3O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
PubChem CID122639250
Molecular FormulaC24H16FN3O2
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2ccc3ncccc3c2)c2c1C(=O)NC2)c1ccc(F)cc1
InChIInChI=1S/C24H16FN3O2/c25-17-6-3-14(4-7-17)23(29)28-21-10-8-18(19-13-27-24(30)22(19)21)15-5-9-20-16(12-15)2-1-11-26-20/h1-12H,13H2,(H,27,30)(H,28,29)
InChIKeyWBACSOQRAABZPF-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(3,4-difluorophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639240
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[3-oxo-7-[4-(trifluoromethyl)phenyl]-1,2-dihydroisoindol-4-yl]benzamide
CID 122639255
4-fluoro-N-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)benzamide
CID 122639404
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167
N-[7-(3-cyanophenyl)-3-oxo-1,2-dihydroisoindol-4-yl]benzamide
CID 122639188
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
4-fluoro-N-[3-oxo-7-(pyrazin-2-ylamino)-1,2-dihydroisoindol-4-yl]benzamide
CID 122639231
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamic acid
CID 122639210
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide (CID 122639250) is 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide is O=C(Nc1ccc(-c2ccc3ncccc3c2)c2c1C(=O)NC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide?
The InChIKey is WBACSOQRAABZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2/c25-17-6-3-14(4-7-17)23(29)28-21-10-8-18(19-13-27-24(30)22(19)21)15-5-9-20-16(12-15)2-1-11-26-20/h1-12H,13H2,(H,27,30)(H,28,29).
What are the key properties of 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide?
4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide has a molecular weight of 397.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-oxo-7-quinolin-6-yl-1,2-dihydroisoindol-4-yl)benzamide is sourced from PubChem (CID 122639250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).