N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C23H20N4O3 — CID 99808384

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cn2)c1C
InChIInChI=1S/C23H20N4O3/c1-15-6-5-9-20(16(15)2)30-22-11-10-17(12-25-22)26-21(28)14-27-19-8-4-3-7-18(19)24-13-23(27)29/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeySBNVVQKTIGPOHI-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.84
Rot. Bonds5

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 99808384) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID99808384
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cn2)c1C
InChIInChI=1S/C23H20N4O3/c1-15-6-5-9-20(16(15)2)30-22-11-10-17(12-25-22)26-21(28)14-27-19-8-4-3-7-18(19)24-13-23(27)29/h3-13H,14H2,1-2H3,(H,26,28)
InChIKeySBNVVQKTIGPOHI-UHFFFAOYSA-N
XLogP3.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 25480937
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 99808384) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide is Cc1cccc(Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is SBNVVQKTIGPOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-6-5-9-20(16(15)2)30-22-11-10-17(12-25-22)26-21(28)14-27-19-8-4-3-7-18(19)24-13-23(27)29/h3-13H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 99808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).