2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate

C19H25N3O5 — CID 46955302

IUPAC2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
SMILESCOCCOC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N3O5/c1-26-10-11-27-17(23)12-21-8-6-19(25,7-9-21)13-22-14-20-16-5-3-2-4-15(16)18(22)24/h2-5,14,25H,6-13H2,1H3
InChIKeyOTZRYIYTLJEPFM-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.41
Rot. Bonds7

About 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate

2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate (PubChem CID 46955302) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
PubChem CID46955302
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
SMILESCOCCOC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N3O5/c1-26-10-11-27-17(23)12-21-8-6-19(25,7-9-21)13-22-14-20-16-5-3-2-4-15(16)18(22)24/h2-5,14,25H,6-13H2,1H3
InChIKeyOTZRYIYTLJEPFM-UHFFFAOYSA-N
XLogP0.41
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate with MolForge

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Related Compounds

2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92582048
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92594591
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221527
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
tert-butyl 4-[(7-amino-4-oxoquinazolin-3-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 146923575
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate?
The IUPAC name of 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate (CID 46955302) is 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate is COCCOC(=O)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate?
The InChIKey is OTZRYIYTLJEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-26-10-11-27-17(23)12-21-8-6-19(25,7-9-21)13-22-14-20-16-5-3-2-4-15(16)18(22)24/h2-5,14,25H,6-13H2,1H3.
What are the key properties of 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate?
2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate has a molecular weight of 375.43 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 46955302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).