7-(2,4-difluoroanilino)isoquinoline-5,8-dione

C15H8F2N2O2 — CID 15537872

IUPAC7-(2,4-difluoroanilino)isoquinoline-5,8-dione
SMILESO=C1C=C(Nc2ccc(F)cc2F)C(=O)c2cnccc21
InChIInChI=1S/C15H8F2N2O2/c16-8-1-2-12(11(17)5-8)19-13-6-14(20)9-3-4-18-7-10(9)15(13)21/h1-7,19H
InChIKeyGNBDKNHKUORBGX-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.73
Rot. Bonds2

About 7-(2,4-difluoroanilino)isoquinoline-5,8-dione

7-(2,4-difluoroanilino)isoquinoline-5,8-dione (PubChem CID 15537872) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 7-(2,4-difluoroanilino)isoquinoline-5,8-dione.

Molecular Properties

Compound Name7-(2,4-difluoroanilino)isoquinoline-5,8-dione
PubChem CID15537872
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name7-(2,4-difluoroanilino)isoquinoline-5,8-dione
SMILESO=C1C=C(Nc2ccc(F)cc2F)C(=O)c2cnccc21
InChIInChI=1S/C15H8F2N2O2/c16-8-1-2-12(11(17)5-8)19-13-6-14(20)9-3-4-18-7-10(9)15(13)21/h1-7,19H
InChIKeyGNBDKNHKUORBGX-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
CID 53233791
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
N-(2,4-difluorophenyl)pyridin-2-amine
CID 14914349
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
6-amino-7-[(2-chloro-4-fluorophenyl)methylamino]-5-methylideneisoquinolin-8-one
CID 155327545

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluoroanilino)isoquinoline-5,8-dione?
The IUPAC name of 7-(2,4-difluoroanilino)isoquinoline-5,8-dione (CID 15537872) is 7-(2,4-difluoroanilino)isoquinoline-5,8-dione.
What is the SMILES notation for 7-(2,4-difluoroanilino)isoquinoline-5,8-dione?
The canonical SMILES for 7-(2,4-difluoroanilino)isoquinoline-5,8-dione is O=C1C=C(Nc2ccc(F)cc2F)C(=O)c2cnccc21.
What is the InChIKey of 7-(2,4-difluoroanilino)isoquinoline-5,8-dione?
The InChIKey is GNBDKNHKUORBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-8-1-2-12(11(17)5-8)19-13-6-14(20)9-3-4-18-7-10(9)15(13)21/h1-7,19H.
What are the key properties of 7-(2,4-difluoroanilino)isoquinoline-5,8-dione?
7-(2,4-difluoroanilino)isoquinoline-5,8-dione has a molecular weight of 286.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluoroanilino)isoquinoline-5,8-dione is sourced from PubChem (CID 15537872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).