ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate

C13H13FN2O3 — CID 67352030

IUPACethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate
SMILESCCOC(=O)Cc1c(F)ccc2cnc(OC)nc12
InChIInChI=1S/C13H13FN2O3/c1-3-19-11(17)6-9-10(14)5-4-8-7-15-13(18-2)16-12(8)9/h4-5,7H,3,6H2,1-2H3
InChIKeyVYVJZSHRPRXCDC-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate

ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate (PubChem CID 67352030) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate
PubChem CID67352030
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate
SMILESCCOC(=O)Cc1c(F)ccc2cnc(OC)nc12
InChIInChI=1S/C13H13FN2O3/c1-3-19-11(17)6-9-10(14)5-4-8-7-15-13(18-2)16-12(8)9/h4-5,7H,3,6H2,1-2H3
InChIKeyVYVJZSHRPRXCDC-UHFFFAOYSA-N
XLogP1.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate?
The IUPAC name of ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate (CID 67352030) is ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate.
What is the SMILES notation for ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate?
The canonical SMILES for ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate is CCOC(=O)Cc1c(F)ccc2cnc(OC)nc12.
What is the InChIKey of ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate?
The InChIKey is VYVJZSHRPRXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-19-11(17)6-9-10(14)5-4-8-7-15-13(18-2)16-12(8)9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate?
ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate has a molecular weight of 264.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate is sourced from PubChem (CID 67352030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).