3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

C24H21N3O5 — CID 55750751

IUPAC3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-31-20-12-9-16(13-21(20)32-2)23(29)25-17-10-7-15(8-11-17)24(30)27-14-22(28)26-18-5-3-4-6-19(18)27/h3-13H,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJXZKTAUNZPDZBR-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.56
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (PubChem CID 55750751) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
PubChem CID55750751
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-31-20-12-9-16(13-21(20)32-2)23(29)25-17-10-7-15(8-11-17)24(30)27-14-22(28)26-18-5-3-4-6-19(18)27/h3-13H,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJXZKTAUNZPDZBR-UHFFFAOYSA-N
XLogP3.56
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55750843
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
3-(cyanomethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 78891272
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 55799126
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (CID 55750751) is 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The InChIKey is JXZKTAUNZPDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-31-20-12-9-16(13-21(20)32-2)23(29)25-17-10-7-15(8-11-17)24(30)27-14-22(28)26-18-5-3-4-6-19(18)27/h3-13H,14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55750751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).