4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

C16H13ClN2O2 — CID 63195251

IUPAC4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(8-12(10)17)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyFIHFELHGSFDAKD-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.25
Rot. Bonds1

About 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 63195251) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID63195251
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(8-12(10)17)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyFIHFELHGSFDAKD-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 63195251) is 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is FIHFELHGSFDAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-7-11(8-12(10)17)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).