2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline

C20H28N4O3 — CID 175280489

IUPAC2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline
SMILESCC(C(=O)O)N(C)C.Cc1nccn1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H10N2O.C5H11NO2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-7-2-3-8(6)4-5-9;1-4(5(7)8)6(2)3/h1-7H;2-3,9H,4-5H2,1H3;4H,1-3H3,(H,7,8)
InChIKeyDDRBMUPBQGLBHC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.44
Rot. Bonds4

About 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline

2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline (PubChem CID 175280489) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline
PubChem CID175280489
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline
SMILESCC(C(=O)O)N(C)C.Cc1nccn1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H10N2O.C5H11NO2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-7-2-3-8(6)4-5-9;1-4(5(7)8)6(2)3/h1-7H;2-3,9H,4-5H2,1H3;4H,1-3H3,(H,7,8)
InChIKeyDDRBMUPBQGLBHC-UHFFFAOYSA-N
XLogP2.44
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline?
The IUPAC name of 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline (CID 175280489) is 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline?
The canonical SMILES for 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline is CC(C(=O)O)N(C)C.Cc1nccn1CCO.c1ccc2ncccc2c1.
What is the InChIKey of 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline?
The InChIKey is DDRBMUPBQGLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H10N2O.C5H11NO2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-7-2-3-8(6)4-5-9;1-4(5(7)8)6(2)3/h1-7H;2-3,9H,4-5H2,1H3;4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline?
2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline has a molecular weight of 372.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;2-(2-methylimidazol-1-yl)ethanol;quinoline is sourced from PubChem (CID 175280489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).