6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione

C14H8BrClN2O2 — CID 1344529

IUPAC6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O2/c15-8-4-5-12-11(6-8)13(19)18(14(20)17-12)10-3-1-2-9(16)7-10/h1-7H,(H,17,20)
InChIKeyCZLVBKVIWGBSTR-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.09
Rot. Bonds1

About 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione

6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione (PubChem CID 1344529) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
PubChem CID1344529
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O2/c15-8-4-5-12-11(6-8)13(19)18(14(20)17-12)10-3-1-2-9(16)7-10/h1-7H,(H,17,20)
InChIKeyCZLVBKVIWGBSTR-UHFFFAOYSA-N
XLogP3.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione (CID 1344529) is 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is CZLVBKVIWGBSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-8-4-5-12-11(6-8)13(19)18(14(20)17-12)10-3-1-2-9(16)7-10/h1-7H,(H,17,20).
What are the key properties of 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione?
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 351.59 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 1344529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).