6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione

C20H15N3O2S — CID 14815109

IUPAC6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CNC3=NCCS3)c(=O)c3ccccc3n21
InChIInChI=1S/C20H15N3O2S/c24-18-14-7-3-4-8-16(14)23-17(12-5-1-2-6-13(12)19(23)25)15(18)11-22-20-21-9-10-26-20/h1-8H,9-11H2,(H,21,22)
InChIKeyVJJPLBATCHOFLZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.86
Rot. Bonds2

About 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione

6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione (PubChem CID 14815109) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione.

Molecular Properties

Compound Name6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
PubChem CID14815109
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c(CNC3=NCCS3)c(=O)c3ccccc3n21
InChIInChI=1S/C20H15N3O2S/c24-18-14-7-3-4-8-16(14)23-17(12-5-1-2-6-13(12)19(23)25)15(18)11-22-20-21-9-10-26-20/h1-8H,9-11H2,(H,21,22)
InChIKeyVJJPLBATCHOFLZ-UHFFFAOYSA-N
XLogP2.86
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The IUPAC name of 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione (CID 14815109) is 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione.
What is the SMILES notation for 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The canonical SMILES for 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione is O=C1c2ccccc2-c2c(CNC3=NCCS3)c(=O)c3ccccc3n21.
What is the InChIKey of 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
The InChIKey is VJJPLBATCHOFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-18-14-7-3-4-8-16(14)23-17(12-5-1-2-6-13(12)19(23)25)15(18)11-22-20-21-9-10-26-20/h1-8H,9-11H2,(H,21,22).
What are the key properties of 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione?
6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione has a molecular weight of 361.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]isoindolo[2,3-a]quinoline-5,11-dione is sourced from PubChem (CID 14815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).