7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one

C17H15FN2O2 — CID 17407683

IUPAC7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C17H15FN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-10-13(18)6-7-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3
InChIKeySSRUVWZVZZBGKQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.92
Rot. Bonds4

About 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one

7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (PubChem CID 17407683) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
PubChem CID17407683
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C17H15FN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-10-13(18)6-7-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3
InChIKeySSRUVWZVZZBGKQ-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (CID 17407683) is 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is Cc1ccccc1OCCn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is SSRUVWZVZZBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12-4-2-3-5-16(12)22-9-8-20-11-19-15-10-13(18)6-7-14(15)17(20)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 298.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 17407683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).