N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide

C21H21N3O3 — CID 156609042

IUPACN-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(-c2cnc3ccccc3n2)cc1)C1COCC1O
InChIInChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)15-9-7-14(8-10-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-11,19-20,25H,2,12-13H2,1H3
InChIKeyHBTDNRZXSDRUCZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide

N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide (PubChem CID 156609042) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide
PubChem CID156609042
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(-c2cnc3ccccc3n2)cc1)C1COCC1O
InChIInChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)15-9-7-14(8-10-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-11,19-20,25H,2,12-13H2,1H3
InChIKeyHBTDNRZXSDRUCZ-UHFFFAOYSA-N
XLogP2.52
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide (CID 156609042) is N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide is CCN(C(=O)c1ccc(-c2cnc3ccccc3n2)cc1)C1COCC1O.
What is the InChIKey of N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide?
The InChIKey is HBTDNRZXSDRUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-24(19-12-27-13-20(19)25)21(26)15-9-7-14(8-10-15)18-11-22-16-5-3-4-6-17(16)23-18/h3-11,19-20,25H,2,12-13H2,1H3.
What are the key properties of N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide?
N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxyoxolan-3-yl)-4-quinoxalin-2-ylbenzamide is sourced from PubChem (CID 156609042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).