4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

C17H16N2O4 — CID 2420253

IUPAC4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O4/c1-22-12-7-11(8-13(9-12)23-2)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeySDPIZPFJEHOXNO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.30
Rot. Bonds3

About 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2420253) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2420253
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O4/c1-22-12-7-11(8-13(9-12)23-2)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeySDPIZPFJEHOXNO-UHFFFAOYSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one (CID 2420253) is 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one is COc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is SDPIZPFJEHOXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-12-7-11(8-13(9-12)23-2)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 312.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2420253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).