2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

C19H11BrN2O2 — CID 5344830

IUPAC2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C19H11BrN2O2/c20-14-9-7-12(8-10-14)11-21-22-18(23)15-5-1-3-13-4-2-6-16(17(13)15)19(22)24/h1-11H/b21-11+
InChIKeyPAHPVOPBDUWWMN-SRZZPIQSSA-N
MW379.21 g/mol
LogP4.23
Rot. Bonds2

About 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione

2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (PubChem CID 5344830) has the molecular formula C19H11BrN2O2 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
PubChem CID5344830
Molecular FormulaC19H11BrN2O2
Molecular Weight379.21 g/mol
Exact Mass378.00
IUPAC Name2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C19H11BrN2O2/c20-14-9-7-12(8-10-14)11-21-22-18(23)15-5-1-3-13-4-2-6-16(17(13)15)19(22)24/h1-11H/b21-11+
InChIKeyPAHPVOPBDUWWMN-SRZZPIQSSA-N
XLogP4.23
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione (CID 5344830) is 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
The InChIKey is PAHPVOPBDUWWMN-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H11BrN2O2/c20-14-9-7-12(8-10-14)11-21-22-18(23)15-5-1-3-13-4-2-6-16(17(13)15)19(22)24/h1-11H/b21-11+.
What are the key properties of 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione?
2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione has a molecular weight of 379.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-bromophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 5344830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).