3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one

C18H17FN2O2 — CID 2216097

IUPAC3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCCOc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c19-15-8-2-4-10-17(15)23-12-6-5-11-21-13-20-16-9-3-1-7-14(16)18(21)22/h1-4,7-10,13H,5-6,11-12H2
InChIKeyIUTHKXMCHMQFNW-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.39
Rot. Bonds6

About 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one

3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one (PubChem CID 2216097) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one
PubChem CID2216097
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCCOc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c19-15-8-2-4-10-17(15)23-12-6-5-11-21-13-20-16-9-3-1-7-14(16)18(21)22/h1-4,7-10,13H,5-6,11-12H2
InChIKeyIUTHKXMCHMQFNW-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one?
The IUPAC name of 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one (CID 2216097) is 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one?
The canonical SMILES for 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCCCOc1ccccc1F.
What is the InChIKey of 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one?
The InChIKey is IUTHKXMCHMQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-8-2-4-10-17(15)23-12-6-5-11-21-13-20-16-9-3-1-7-14(16)18(21)22/h1-4,7-10,13H,5-6,11-12H2.
What are the key properties of 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one?
3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one has a molecular weight of 312.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)butyl]quinazolin-4-one is sourced from PubChem (CID 2216097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).