4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one

C15H10BrClN2O2 — CID 61059136

IUPAC4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Br)cc2Cl)c2ccccc2N1
InChIInChI=1S/C15H10BrClN2O2/c16-9-5-6-10(11(17)7-9)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20)
InChIKeyLXAXBXJOPQJUHU-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.70
Rot. Bonds1

About 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one

4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 61059136) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID61059136
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Br)cc2Cl)c2ccccc2N1
InChIInChI=1S/C15H10BrClN2O2/c16-9-5-6-10(11(17)7-9)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20)
InChIKeyLXAXBXJOPQJUHU-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
4-(4-bromo-3-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 80948248
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-amino-5-bromobenzoate
CID 7149179
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
4-(4-bromo-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075932
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one (CID 61059136) is 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(Br)cc2Cl)c2ccccc2N1.
What is the InChIKey of 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is LXAXBXJOPQJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-9-5-6-10(11(17)7-9)15(21)19-8-14(20)18-12-3-1-2-4-13(12)19/h1-7H,8H2,(H,18,20).
What are the key properties of 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 365.61 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 61059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).