N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide

C16H15N3O2 — CID 140516633

IUPACN-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
SMILESO=C1CN(CNC(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H15N3O2/c20-15-10-19(14-9-5-4-8-13(14)18-15)11-17-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyXZDKDIXSAVNMHU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.83
Rot. Bonds3

About N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide

N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide (PubChem CID 140516633) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
PubChem CID140516633
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
SMILESO=C1CN(CNC(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H15N3O2/c20-15-10-19(14-9-5-4-8-13(14)18-15)11-17-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyXZDKDIXSAVNMHU-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679628
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
3-[[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2411299
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide?
The IUPAC name of N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide (CID 140516633) is N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide is O=C1CN(CNC(=O)c2ccccc2)c2ccccc2N1.
What is the InChIKey of N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide?
The InChIKey is XZDKDIXSAVNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-19(14-9-5-4-8-13(14)18-15)11-17-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,21)(H,18,20).
What are the key properties of N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide?
N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide is sourced from PubChem (CID 140516633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).