methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate

C17H19N5O4 — CID 70144174

IUPACmethyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N
InChIInChI=1S/C17H19N5O4/c1-25-16(24)11-2-3-12-14(15(11)18)13(4-8-26-9-7-23)21-17(20-12)22-6-5-19-10-22/h2-3,5-6,10,23H,4,7-9,18H2,1H3
InChIKeyNUINDQNCOSLQNC-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.74
Rot. Bonds7

About methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate

methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate (PubChem CID 70144174) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate
PubChem CID70144174
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Namemethyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N
InChIInChI=1S/C17H19N5O4/c1-25-16(24)11-2-3-12-14(15(11)18)13(4-8-26-9-7-23)21-17(20-12)22-6-5-19-10-22/h2-3,5-6,10,23H,4,7-9,18H2,1H3
InChIKeyNUINDQNCOSLQNC-UHFFFAOYSA-N
XLogP0.74
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol
CID 151921849
2-imidazol-1-yl-4-(2-methoxyethyl)-6-methylquinazolin-5-amine
CID 150680075
2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
CID 67619633
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
CID 150286970
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
methyl 2-bromo-4-imidazol-1-ylbenzoate
CID 131555290
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate?
The IUPAC name of methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate (CID 70144174) is methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate.
What is the SMILES notation for methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate?
The canonical SMILES for methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate is COC(=O)c1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N.
What is the InChIKey of methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate?
The InChIKey is NUINDQNCOSLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-25-16(24)11-2-3-12-14(15(11)18)13(4-8-26-9-7-23)21-17(20-12)22-6-5-19-10-22/h2-3,5-6,10,23H,4,7-9,18H2,1H3.
What are the key properties of methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate?
methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate is sourced from PubChem (CID 70144174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).