4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

C16H10ClF3N2O2 — CID 18531940

IUPAC4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-4-1-9(2-5-11)15(24)22-8-14(23)21-12-7-10(16(18,19)20)3-6-13(12)22/h1-7H,8H2,(H,21,23)
InChIKeyMHGOLXDOPKWDMM-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.96
Rot. Bonds1

About 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 18531940) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID18531940
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-4-1-9(2-5-11)15(24)22-8-14(23)21-12-7-10(16(18,19)20)3-6-13(12)22/h1-7H,8H2,(H,21,23)
InChIKeyMHGOLXDOPKWDMM-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one (CID 18531940) is 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is MHGOLXDOPKWDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-11-4-1-9(2-5-11)15(24)22-8-14(23)21-12-7-10(16(18,19)20)3-6-13(12)22/h1-7H,8H2,(H,21,23).
What are the key properties of 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 354.72 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 18531940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).