2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione

C18H12BrN3O3 — CID 7886495

IUPAC2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H12BrN3O3/c19-11-5-6-15-14(9-11)16(23)21(10-20-15)7-8-22-17(24)12-3-1-2-4-13(12)18(22)25/h1-6,9-10H,7-8H2
InChIKeyMWPXXTBSTKQEKD-UHFFFAOYSA-N
MW398.22 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione

2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 7886495) has the molecular formula C18H12BrN3O3 and a molecular weight of 398.22 g/mol. Its IUPAC name is 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione
PubChem CID7886495
Molecular FormulaC18H12BrN3O3
Molecular Weight398.22 g/mol
Exact Mass397.01
IUPAC Name2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H12BrN3O3/c19-11-5-6-15-14(9-11)16(23)21(10-20-15)7-8-22-17(24)12-3-1-2-4-13(12)18(22)25/h1-6,9-10H,7-8H2
InChIKeyMWPXXTBSTKQEKD-UHFFFAOYSA-N
XLogP2.46
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 62563598
2-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]isoindole-1,3-dione
CID 18202999
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione (CID 7886495) is 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is MWPXXTBSTKQEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O3/c19-11-5-6-15-14(9-11)16(23)21(10-20-15)7-8-22-17(24)12-3-1-2-4-13(12)18(22)25/h1-6,9-10H,7-8H2.
What are the key properties of 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 398.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 7886495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).