3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one

C16H15FN2O — CID 144872331

IUPAC3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one
SMILESCCc1nc2ccc(F)cc2c(=O)n1C1=CCCC=C1
InChIInChI=1S/C16H15FN2O/c1-2-15-18-14-9-8-11(17)10-13(14)16(20)19(15)12-6-4-3-5-7-12/h4,6-10H,2-3,5H2,1H3
InChIKeyDWVCDFUDMXLIBX-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.29
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one

3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one (PubChem CID 144872331) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one
PubChem CID144872331
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one
SMILESCCc1nc2ccc(F)cc2c(=O)n1C1=CCCC=C1
InChIInChI=1S/C16H15FN2O/c1-2-15-18-14-9-8-11(17)10-13(14)16(20)19(15)12-6-4-3-5-7-12/h4,6-10H,2-3,5H2,1H3
InChIKeyDWVCDFUDMXLIBX-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one (CID 144872331) is 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one is CCc1nc2ccc(F)cc2c(=O)n1C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one?
The InChIKey is DWVCDFUDMXLIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-15-18-14-9-8-11(17)10-13(14)16(20)19(15)12-6-4-3-5-7-12/h4,6-10H,2-3,5H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one?
3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one has a molecular weight of 270.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-2-ethyl-6-fluoroquinazolin-4-one is sourced from PubChem (CID 144872331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).