4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide

C22H20N4O3S — CID 11475654

IUPAC4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1
InChIInChI=1S/C22H20N4O3S/c27-12-11-26-19-6-2-1-5-18(19)25-20(22(26)29)24-16-9-7-15(8-10-16)21(28)23-14-17-4-3-13-30-17/h1-10,13,27H,11-12,14H2,(H,23,28)(H,24,25)
InChIKeyYWEODAWUFFOIME-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.12
Rot. Bonds7

About 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide

4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11475654) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11475654
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1
InChIInChI=1S/C22H20N4O3S/c27-12-11-26-19-6-2-1-5-18(19)25-20(22(26)29)24-16-9-7-15(8-10-16)21(28)23-14-17-4-3-13-30-17/h1-10,13,27H,11-12,14H2,(H,23,28)(H,24,25)
InChIKeyYWEODAWUFFOIME-UHFFFAOYSA-N
XLogP3.12
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide
CID 11303405
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 53058343
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 20891164
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1,3-oxazol-2-yl)benzamide
CID 11485222
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
4-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
CID 91963552
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523629
4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
CID 169340076
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11475654) is 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YWEODAWUFFOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-12-11-26-19-6-2-1-5-18(19)25-20(22(26)29)24-16-9-7-15(8-10-16)21(28)23-14-17-4-3-13-30-17/h1-10,13,27H,11-12,14H2,(H,23,28)(H,24,25).
What are the key properties of 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)-3-oxoquinoxalin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 11475654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).