ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate

C19H17FN2O2 — CID 13365244

IUPACethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnc(-c3ccccc3F)nc2c1C
InChIInChI=1S/C19H17FN2O2/c1-4-24-19(23)16-11(2)9-13-10-21-18(22-17(13)12(16)3)14-7-5-6-8-15(14)20/h5-10H,4H2,1-3H3
InChIKeyASSUONLJMLSDPK-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.23
Rot. Bonds3

About ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate

ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate (PubChem CID 13365244) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate
PubChem CID13365244
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Nameethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnc(-c3ccccc3F)nc2c1C
InChIInChI=1S/C19H17FN2O2/c1-4-24-19(23)16-11(2)9-13-10-21-18(22-17(13)12(16)3)14-7-5-6-8-15(14)20/h5-10H,4H2,1-3H3
InChIKeyASSUONLJMLSDPK-UHFFFAOYSA-N
XLogP4.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate?
The IUPAC name of ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate (CID 13365244) is ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate is CCOC(=O)c1c(C)cc2cnc(-c3ccccc3F)nc2c1C.
What is the InChIKey of ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate?
The InChIKey is ASSUONLJMLSDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-4-24-19(23)16-11(2)9-13-10-21-18(22-17(13)12(16)3)14-7-5-6-8-15(14)20/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate?
ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)-6,8-dimethylquinazoline-7-carboxylate is sourced from PubChem (CID 13365244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).