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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Related Compounds

Dazmegrel
CID 53555
2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
CID 70648564
4-[2-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine
CID 71203902
2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
CID 71203905
4-Methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543930
2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]-1-piperidyl]ethanol
CID 11597237
(3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid
CID 13594154
2-[2-[(2-Oxo-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-1'-yl)methyl]imidazol-1-yl]acetic acid
CID 57386008
Indolo[2,3-b]quinoxalin-6-yl-acetic acid
CID 615961
Ethyl 2-(4,5-diphenyl-2-pyridin-3-ylimidazol-1-yl)acetate
CID 2817092
4-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]quinoline
CID 72838258
2-[4-[4-(4-Fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]acetic acid
CID 76325320

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).