methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate

C13H14N2O3 — CID 171497124

IUPACmethyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccccc2C12CC2
InChIInChI=1S/C13H14N2O3/c1-18-11(16)8-15-12(17)14-10-5-3-2-4-9(10)13(15)6-7-13/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyXWXGJEYDLXRMSI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds2

About methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate

methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate (PubChem CID 171497124) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
PubChem CID171497124
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
SMILESCOC(=O)CN1C(=O)Nc2ccccc2C12CC2
InChIInChI=1S/C13H14N2O3/c1-18-11(16)8-15-12(17)14-10-5-3-2-4-9(10)13(15)6-7-13/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyXWXGJEYDLXRMSI-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate?
The IUPAC name of methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate (CID 171497124) is methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate?
The canonical SMILES for methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate is COC(=O)CN1C(=O)Nc2ccccc2C12CC2.
What is the InChIKey of methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate?
The InChIKey is XWXGJEYDLXRMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-11(16)8-15-12(17)14-10-5-3-2-4-9(10)13(15)6-7-13/h2-5H,6-8H2,1H3,(H,14,17).
What are the key properties of methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate?
methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate has a molecular weight of 246.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate is sourced from PubChem (CID 171497124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).