N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide

C22H23N3O4 — CID 71815483

IUPACN-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc2[nH]c(=O)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O4/c26-21(25-29-20-8-4-5-13-28-20)16-10-12-17-19(14-16)23-18(22(27)24-17)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)
InChIKeyIAFAMGIWWIZLBA-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.90
Rot. Bonds6

About N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide

N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide (PubChem CID 71815483) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
PubChem CID71815483
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
SMILESO=C(NOC1CCCCO1)c1ccc2[nH]c(=O)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O4/c26-21(25-29-20-8-4-5-13-28-20)16-10-12-17-19(14-16)23-18(22(27)24-17)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)
InChIKeyIAFAMGIWWIZLBA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide (CID 71815483) is N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide is O=C(NOC1CCCCO1)c1ccc2[nH]c(=O)c(CCc3ccccc3)nc2c1.
What is the InChIKey of N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide?
The InChIKey is IAFAMGIWWIZLBA-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)23-18(22(27)24-17)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)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide?
N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-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)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 71815483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).