2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one

C15H11FN2O2 — CID 135443732

IUPAC2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
InChIKeyGKHVECTULDXARR-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one

2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one (PubChem CID 135443732) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
PubChem CID135443732
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19)
InChIKeyGKHVECTULDXARR-UHFFFAOYSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one (CID 135443732) is 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one?
The InChIKey is GKHVECTULDXARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one?
2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one has a molecular weight of 270.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135443732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).