4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid

C18H24N4O3 — CID 122058685

IUPAC4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
SMILESCC1CN(c2nc3ccccc3nc2NCCCC(=O)O)CC(C)O1
InChIInChI=1S/C18H24N4O3/c1-12-10-22(11-13(2)25-12)18-17(19-9-5-8-16(23)24)20-14-6-3-4-7-15(14)21-18/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyDQCQRWWDGMXPLF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.52
Rot. Bonds6

About 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid

4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid (PubChem CID 122058685) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
PubChem CID122058685
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
SMILESCC1CN(c2nc3ccccc3nc2NCCCC(=O)O)CC(C)O1
InChIInChI=1S/C18H24N4O3/c1-12-10-22(11-13(2)25-12)18-17(19-9-5-8-16(23)24)20-14-6-3-4-7-15(14)21-18/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyDQCQRWWDGMXPLF-UHFFFAOYSA-N
XLogP2.52
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid with MolForge

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Related Compounds

3-[3-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137248421
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxalin-2-amine
CID 71846707
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519
ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4307057
4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 133378380
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 133444786
(2S)-N-benzyl-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7377779
(2S)-N-benzyl-2-cyano-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7381848
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid?
The IUPAC name of 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid (CID 122058685) is 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid is CC1CN(c2nc3ccccc3nc2NCCCC(=O)O)CC(C)O1.
What is the InChIKey of 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid?
The InChIKey is DQCQRWWDGMXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-10-22(11-13(2)25-12)18-17(19-9-5-8-16(23)24)20-14-6-3-4-7-15(14)21-18/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid?
4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid has a molecular weight of 344.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid is sourced from PubChem (CID 122058685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).