7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

C22H22N6O2S — CID 146479506

IUPAC7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C22H22N6O2S/c1-27-19-12-14(17-13-31-22(23)26-17)6-7-16(19)25-20(21(27)29)24-15-4-2-3-5-18(15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyQMYWRDGVCJVIGA-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.22
Rot. Bonds4

About 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (PubChem CID 146479506) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
PubChem CID146479506
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C22H22N6O2S/c1-27-19-12-14(17-13-31-22(23)26-17)6-7-16(19)25-20(21(27)29)24-15-4-2-3-5-18(15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyQMYWRDGVCJVIGA-UHFFFAOYSA-N
XLogP3.22
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
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-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155524556
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 164620689
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-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (CID 146479506) is 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is Cn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3csc(N)n3)cc21.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The InChIKey is QMYWRDGVCJVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-27-19-12-14(17-13-31-22(23)26-17)6-7-16(19)25-20(21(27)29)24-15-4-2-3-5-18(15)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
7-(2-amino-1,3-thiazol-4-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one has a molecular weight of 434.53 g/mol, XLogP of 3.22, 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-(2-morpholin-4-ylanilino)quinoxalin-2-one is sourced from PubChem (CID 146479506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).