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

C15H17N3O3 — CID 66435975

IUPAC2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
SMILESCc1nc2ccccc2nc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H17N3O3/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-11(9-18)8-14(19)20/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyABTKSVJRTYLUEQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.62
Rot. Bonds3

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

2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid (PubChem CID 66435975) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
PubChem CID66435975
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
SMILESCc1nc2ccccc2nc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H17N3O3/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-11(9-18)8-14(19)20/h2-5,11H,6-9H2,1H3,(H,19,20)
InChIKeyABTKSVJRTYLUEQ-UHFFFAOYSA-N
XLogP1.62
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]methanol
CID 79839156
4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
CID 66435195
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
CID 66435977
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
methyl 2-(4-quinolin-2-ylmorpholin-2-yl)acetate
CID 79764299
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid (CID 66435975) is 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid is Cc1nc2ccccc2nc1N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid?
The InChIKey is ABTKSVJRTYLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-15(17-13-5-3-2-4-12(13)16-10)18-6-7-21-11(9-18)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)morpholin-2-yl]acetic acid?
2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.62, 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)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).