ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate

C17H13FN2O2 — CID 90410278

IUPACethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H13FN2O2/c1-2-22-17(21)15-13-5-3-4-6-14(13)19-16(20-15)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3
InChIKeyGEVUGSLOAAOSBF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.61
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate

ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate (PubChem CID 90410278) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate
PubChem CID90410278
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Nameethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H13FN2O2/c1-2-22-17(21)15-13-5-3-4-6-14(13)19-16(20-15)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3
InChIKeyGEVUGSLOAAOSBF-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate (CID 90410278) is ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate?
The InChIKey is GEVUGSLOAAOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-2-22-17(21)15-13-5-3-4-6-14(13)19-16(20-15)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate?
ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)quinazoline-4-carboxylate is sourced from PubChem (CID 90410278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).