3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide

C22H24N4O4 — CID 53090957

IUPAC3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C22H24N4O4/c27-20(23-13-17-9-6-12-30-17)14-25-18-10-4-5-11-19(18)26(15-21(25)28)22(29)24-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,29)
InChIKeySRZGXQULPAZTCJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.37
Rot. Bonds5

About 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide

3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide (PubChem CID 53090957) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide
PubChem CID53090957
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C22H24N4O4/c27-20(23-13-17-9-6-12-30-17)14-25-18-10-4-5-11-19(18)26(15-21(25)28)22(29)24-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,29)
InChIKeySRZGXQULPAZTCJ-UHFFFAOYSA-N
XLogP2.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 92752235
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836758
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836759
2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97147655
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6544541
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide?
The IUPAC name of 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide (CID 53090957) is 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide is O=C(CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21)NCC1CCCO1.
What is the InChIKey of 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide?
The InChIKey is SRZGXQULPAZTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20(23-13-17-9-6-12-30-17)14-25-18-10-4-5-11-19(18)26(15-21(25)28)22(29)24-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,27)(H,24,29).
What are the key properties of 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide?
3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53090957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).