7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one

C23H26N6O2S — CID 146561297

IUPAC7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one
SMILESCn1c(=O)c(NC2=CCC(C)(N3CCOCC3)C=C2)nc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C23H26N6O2S/c1-23(29-9-11-31-12-10-29)7-5-16(6-8-23)25-20-21(30)28(2)19-13-15(3-4-17(19)26-20)18-14-32-22(24)27-18/h3-7,13-14H,8-12H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyWUTOAXPBFYGNEA-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.99
Rot. Bonds4

About 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one

7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one (PubChem CID 146561297) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one
PubChem CID146561297
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one
SMILESCn1c(=O)c(NC2=CCC(C)(N3CCOCC3)C=C2)nc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C23H26N6O2S/c1-23(29-9-11-31-12-10-29)7-5-16(6-8-23)25-20-21(30)28(2)19-13-15(3-4-17(19)26-20)18-14-32-22(24)27-18/h3-7,13-14H,8-12H2,1-2H3,(H2,24,27)(H,25,26)
InChIKeyWUTOAXPBFYGNEA-UHFFFAOYSA-N
XLogP2.99
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one with MolForge

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Related Compounds

2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
N-[4-[3-amino-4-[2-hydroxyethyl(methyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 53320680
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
2-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16313215
N-(6-methyl-2-pyridinyl)-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 89423221
US11319299, Example 616
CID 164608183
1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 654206
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-morpholinyl)acetamide
CID 1253460
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155524556
2-(2,6-dimethyl-4-morpholinyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
US11319299, Example 622
CID 138541795
US11319299, Example 620
CID 138551538

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one (CID 146561297) is 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one is Cn1c(=O)c(NC2=CCC(C)(N3CCOCC3)C=C2)nc2ccc(-c3csc(N)n3)cc21.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one?
The InChIKey is WUTOAXPBFYGNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-23(29-9-11-31-12-10-29)7-5-16(6-8-23)25-20-21(30)28(2)19-13-15(3-4-17(19)26-20)18-14-32-22(24)27-18/h3-7,13-14H,8-12H2,1-2H3,(H2,24,27)(H,25,26).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one?
7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one has a molecular weight of 450.57 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-[(4-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)amino]quinoxalin-2-one is sourced from PubChem (CID 146561297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).