10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione

C17H11ClN2O3 — CID 59156839

IUPAC10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione
SMILESO=C1NC2(c3ccc(Cl)cc3)Cc3ccccc3C(=O)N2C1=O
InChIInChI=1S/C17H11ClN2O3/c18-12-7-5-11(6-8-12)17-9-10-3-1-2-4-13(10)15(22)20(17)16(23)14(21)19-17/h1-8H,9H2,(H,19,21)
InChIKeyKCVDAKYRJGKDRI-UHFFFAOYSA-N
MW326.74 g/mol
LogP1.85
Rot. Bonds1

About 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione

10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione (PubChem CID 59156839) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione
PubChem CID59156839
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione
SMILESO=C1NC2(c3ccc(Cl)cc3)Cc3ccccc3C(=O)N2C1=O
InChIInChI=1S/C17H11ClN2O3/c18-12-7-5-11(6-8-12)17-9-10-3-1-2-4-13(10)15(22)20(17)16(23)14(21)19-17/h1-8H,9H2,(H,19,21)
InChIKeyKCVDAKYRJGKDRI-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione?
The IUPAC name of 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione (CID 59156839) is 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione.
What is the SMILES notation for 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione?
The canonical SMILES for 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione is O=C1NC2(c3ccc(Cl)cc3)Cc3ccccc3C(=O)N2C1=O.
What is the InChIKey of 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione?
The InChIKey is KCVDAKYRJGKDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-12-7-5-11(6-8-12)17-9-10-3-1-2-4-13(10)15(22)20(17)16(23)14(21)19-17/h1-8H,9H2,(H,19,21).
What are the key properties of 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione?
10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione has a molecular weight of 326.74 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1,10-dihydroimidazo[1,2-b]isoquinoline-2,3,5-trione is sourced from PubChem (CID 59156839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).