ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate

C12H14N2O2 — CID 150705545

IUPACethyl 2-(1,4-dihydroquinazolin-2-yl)acetate
SMILESCCOC(=O)CC1=NCc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-2-16-12(15)7-11-13-8-9-5-3-4-6-10(9)14-11/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyJMUBOYFGXSFSCY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.96
Rot. Bonds3

About ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate

ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate (PubChem CID 150705545) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dihydroquinazolin-2-yl)acetate
PubChem CID150705545
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl 2-(1,4-dihydroquinazolin-2-yl)acetate
SMILESCCOC(=O)CC1=NCc2ccccc2N1
InChIInChI=1S/C12H14N2O2/c1-2-16-12(15)7-11-13-8-9-5-3-4-6-10(9)14-11/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyJMUBOYFGXSFSCY-UHFFFAOYSA-N
XLogP1.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(2-ethylphenyl)acetate
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ethyl 2-phenylacetate
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ethyl 2-phenylacetate;hydrate
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CID 159251036
CID 159251036
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate?
The IUPAC name of ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate (CID 150705545) is ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate is CCOC(=O)CC1=NCc2ccccc2N1.
What is the InChIKey of ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate?
The InChIKey is JMUBOYFGXSFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-16-12(15)7-11-13-8-9-5-3-4-6-10(9)14-11/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate?
ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate has a molecular weight of 218.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dihydroquinazolin-2-yl)acetate is sourced from PubChem (CID 150705545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).