ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate

C14H15FN2O3 — CID 10731271

IUPACethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C14H15FN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
InChIKeyANCORYVGFATUPF-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.88
Rot. Bonds5

About ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate

ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate (PubChem CID 10731271) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate
PubChem CID10731271
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C14H15FN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
InChIKeyANCORYVGFATUPF-UHFFFAOYSA-N
XLogP1.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
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 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate?
The IUPAC name of ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate (CID 10731271) is ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate?
The canonical SMILES for ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate is CCOC(=O)CCCn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate?
The InChIKey is ANCORYVGFATUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate?
ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate has a molecular weight of 278.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-fluoro-4-oxoquinazolin-3-yl)butanoate is sourced from PubChem (CID 10731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).