N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

C22H23N3O4 — CID 71815541

IUPACN-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O4/c26-21(25-29-20-8-4-5-13-28-20)16-10-12-17-19(14-16)24-22(27)18(23-17)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,20H,4-5,8-9,11,13H2,(H,24,27)(H,25,26)
InChIKeyBYQAJKNEWRBRBX-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.90
Rot. Bonds6

About N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (PubChem CID 71815541) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
PubChem CID71815541
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O4/c26-21(25-29-20-8-4-5-13-28-20)16-10-12-17-19(14-16)24-22(27)18(23-17)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,20H,4-5,8-9,11,13H2,(H,24,27)(H,25,26)
InChIKeyBYQAJKNEWRBRBX-UHFFFAOYSA-N
XLogP2.90
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
CID 71815483
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
CID 142706844
N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52536439
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
2-N-benzyl-6-N-(oxan-2-yloxy)-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide
CID 87188952

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (CID 71815541) is N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is O=C(NOC1CCCCO1)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The InChIKey is BYQAJKNEWRBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(25-29-20-8-4-5-13-28-20)16-10-12-17-19(14-16)24-22(27)18(23-17)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,20H,4-5,8-9,11,13H2,(H,24,27)(H,25,26).
What are the key properties of N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 71815541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).