CID 132519977

C24H14BrINO2 — CID 132519977

IUPAC—
SMILESO=C1c2cccc3c(Br)ccc(c23)C(=[O+])N1c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C24H14BrINO2/c25-21-14-13-20-22-18(21)7-4-8-19(22)23(28)27(24(20)29)17-11-9-16(10-12-17)26-15-5-2-1-3-6-15/h1-14H
InChIKeyUPLNKPAOWHLCOU-UHFFFAOYSA-N
MW555.19 g/mol
LogP2.53
Rot. Bonds3

About CID 132519977

CID 132519977 (PubChem CID 132519977) has the molecular formula C24H14BrINO2 and a molecular weight of 555.19 g/mol.

Molecular Properties

Compound NameCID 132519977
PubChem CID132519977
Molecular FormulaC24H14BrINO2
Molecular Weight555.19 g/mol
Exact Mass553.93
IUPAC Name—
SMILESO=C1c2cccc3c(Br)ccc(c23)C(=[O+])N1c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C24H14BrINO2/c25-21-14-13-20-22-18(21)7-4-8-19(22)23(28)27(24(20)29)17-11-9-16(10-12-17)26-15-5-2-1-3-6-15/h1-14H
InChIKeyUPLNKPAOWHLCOU-UHFFFAOYSA-N
XLogP2.53
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-bromo-2-[4-(2,5-dithiophen-2-ylpyrrol-1-yl)phenyl]benzo[de]isoquinoline-1,3-dione
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6-bromo-2-methoxybenzo[de]isoquinoline-1,3-dione
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4-aminobenzenesulfonamide;4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide;8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 160500921
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)naphthalen-1-yl]-2-phenylbenzo[de]isoquinoline-1,3-dione;6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 158544126
6-bromo-2-[4-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1221078
methyl 4-[4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]butanoate
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6-bromo-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130472237
6-bromo-2-(2,2,6,6-tetramethylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
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3-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 132519977?
The IUPAC name of CID 132519977 (CID 132519977) is not available.
What is the SMILES notation for CID 132519977?
The canonical SMILES for CID 132519977 is O=C1c2cccc3c(Br)ccc(c23)C(=[O+])N1c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of CID 132519977?
The InChIKey is UPLNKPAOWHLCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrINO2/c25-21-14-13-20-22-18(21)7-4-8-19(22)23(28)27(24(20)29)17-11-9-16(10-12-17)26-15-5-2-1-3-6-15/h1-14H.
What are the key properties of CID 132519977?
CID 132519977 has a molecular weight of 555.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132519977 is sourced from PubChem (CID 132519977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).