2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid

C15H17N3O2S — CID 66445102

IUPAC2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCc1nc2ccccc2nc1N1CCSCC1CC(=O)O
InChIInChI=1S/C15H17N3O2S/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-9-11(18)8-14(19)20/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyHRIXUEQIIKNWQX-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid

2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66445102) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66445102
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCc1nc2ccccc2nc1N1CCSCC1CC(=O)O
InChIInChI=1S/C15H17N3O2S/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-9-11(18)8-14(19)20/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyHRIXUEQIIKNWQX-UHFFFAOYSA-N
XLogP2.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 83063382
2-[4-(1,3-benzoxazol-2-yl)thiomorpholin-3-yl]acetic acid
CID 66444499
2-[4-[3-(trifluoromethyl)-2-pyridinyl]thiomorpholin-3-yl]acetic acid
CID 66445871
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
CID 103385120
2-[4-[6-(trifluoromethyl)-2-pyridinyl]thiomorpholin-3-yl]acetic acid
CID 66445493
2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
CID 66435975
2-[4-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210927
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66442944
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 81061191
2-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 79369724
2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 114335466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid (CID 66445102) is 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid is Cc1nc2ccccc2nc1N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is HRIXUEQIIKNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-9-11(18)8-14(19)20/h2-5,11H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 303.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66445102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).