4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one

C15H11BrN2O2 — CID 2987019

IUPAC4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C15H11BrN2O2/c16-11-7-5-10(6-8-11)15(20)18-9-14(19)17-12-3-1-2-4-13(12)18/h1-8H,9H2,(H,17,19)
InChIKeyKUJHNYKPEKNKBF-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.05
Rot. Bonds1

About 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one

4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2987019) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2987019
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C15H11BrN2O2/c16-11-7-5-10(6-8-11)15(20)18-9-14(19)17-12-3-1-2-4-13(12)18/h1-8H,9H2,(H,17,19)
InChIKeyKUJHNYKPEKNKBF-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one (CID 2987019) is 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(Br)cc2)c2ccccc2N1.
What is the InChIKey of 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KUJHNYKPEKNKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-11-7-5-10(6-8-11)15(20)18-9-14(19)17-12-3-1-2-4-13(12)18/h1-8H,9H2,(H,17,19).
What are the key properties of 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 331.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2987019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).