2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide

C19H20N4O2 — CID 3481617

IUPAC2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H20N4O2/c1-12(2)21-17(24)11-20-14-8-4-3-7-13(14)18-19(25)23-16-10-6-5-9-15(16)22-18/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXPXCLYBWBGARLE-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide

2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide (PubChem CID 3481617) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
PubChem CID3481617
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H20N4O2/c1-12(2)21-17(24)11-20-14-8-4-3-7-13(14)18-19(25)23-16-10-6-5-9-15(16)22-18/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyXPXCLYBWBGARLE-UHFFFAOYSA-N
XLogP2.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
CID 832829
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
CID 71779729
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 5019834
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
CID 113341898
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
3-[2-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]-1H-quinoxalin-2-one
CID 4029329
N-[2-(7-chloro-3-oxo-4H-quinoxalin-2-yl)phenyl]butanamide
CID 53299187
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
2,2,2-trifluoro-N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 8007173
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide (CID 3481617) is 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide?
The InChIKey is XPXCLYBWBGARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)21-17(24)11-20-14-8-4-3-7-13(14)18-19(25)23-16-10-6-5-9-15(16)22-18/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide?
2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 3481617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).