methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate

C19H27N3O4 — CID 59767846

IUPACmethyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)NC(=O)N(C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C19H27N3O4/c1-13(2)21-8-6-15(7-9-21)22-11-14-4-5-16(26-12-18(23)25-3)10-17(14)20-19(22)24/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,20,24)
InChIKeyONLMLBSWVFLLMU-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate

methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate (PubChem CID 59767846) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate
PubChem CID59767846
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)NC(=O)N(C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C19H27N3O4/c1-13(2)21-8-6-15(7-9-21)22-11-14-4-5-16(26-12-18(23)25-3)10-17(14)20-19(22)24/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,20,24)
InChIKeyONLMLBSWVFLLMU-UHFFFAOYSA-N
XLogP2.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate?
The IUPAC name of methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate (CID 59767846) is methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate is COC(=O)COc1ccc2c(c1)NC(=O)N(C1CCN(C(C)C)CC1)C2.
What is the InChIKey of methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate?
The InChIKey is ONLMLBSWVFLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(2)21-8-6-15(7-9-21)22-11-14-4-5-16(26-12-18(23)25-3)10-17(14)20-19(22)24/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,20,24).
What are the key properties of methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate?
methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate has a molecular weight of 361.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate is sourced from PubChem (CID 59767846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).