2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione

C24H16N4O2S — CID 3252230

IUPAC2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C24H16N4O2S/c29-22-15-7-1-2-8-16(15)23(30)27(22)13-14-31-24-26-18-10-4-3-9-17(18)21-25-19-11-5-6-12-20(19)28(21)24/h1-12H,13-14H2
InChIKeyXJIATESDBKSJIN-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.42
Rot. Bonds4

About 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione

2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione (PubChem CID 3252230) has the molecular formula C24H16N4O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione
PubChem CID3252230
Molecular FormulaC24H16N4O2S
Molecular Weight424.49 g/mol
Exact Mass424.10
IUPAC Name2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C24H16N4O2S/c29-22-15-7-1-2-8-16(15)23(30)27(22)13-14-31-24-26-18-10-4-3-9-17(18)21-25-19-11-5-6-12-20(19)28(21)24/h1-12H,13-14H2
InChIKeyXJIATESDBKSJIN-UHFFFAOYSA-N
XLogP4.42
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 2403457
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one
CID 7149505
2-[2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 3942561
2-[4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione
CID 16535355
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-morpholin-4-ylethanone
CID 3949436
2-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3289330
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 17391305
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dichlorophenyl)acetamide
CID 3959698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione (CID 3252230) is 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione?
The InChIKey is XJIATESDBKSJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2S/c29-22-15-7-1-2-8-16(15)23(30)27(22)13-14-31-24-26-18-10-4-3-9-17(18)21-25-19-11-5-6-12-20(19)28(21)24/h1-12H,13-14H2.
What are the key properties of 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione?
2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione has a molecular weight of 424.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 3252230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).