2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide

C13H15N3O4 — CID 163261629

IUPAC2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
SMILESO=C(CO)NCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H15N3O4/c17-8-12(19)14-6-5-13(20)16-7-11(18)15-9-3-1-2-4-10(9)16/h1-4,17H,5-8H2,(H,14,19)(H,15,18)
InChIKeyALZUBIDNVJPGFO-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.53
Rot. Bonds4

About 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide

2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide (PubChem CID 163261629) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
PubChem CID163261629
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
SMILESO=C(CO)NCCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H15N3O4/c17-8-12(19)14-6-5-13(20)16-7-11(18)15-9-3-1-2-4-10(9)16/h1-4,17H,5-8H2,(H,14,19)(H,15,18)
InChIKeyALZUBIDNVJPGFO-UHFFFAOYSA-N
XLogP-0.53
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 55634150
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide (CID 163261629) is 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide is O=C(CO)NCCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide?
The InChIKey is ALZUBIDNVJPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-8-12(19)14-6-5-13(20)16-7-11(18)15-9-3-1-2-4-10(9)16/h1-4,17H,5-8H2,(H,14,19)(H,15,18).
What are the key properties of 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide?
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide is sourced from PubChem (CID 163261629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).