3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one

C24H26FN3O2 — CID 23151162

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1F
InChIInChI=1S/C24H26FN3O2/c1-16-26-22-8-3-2-7-20(22)24(29)28(16)23-10-9-19(15-21(23)25)30-18-11-13-27(14-12-18)17-5-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3
InChIKeyGIAJFGCHGOWJTG-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.23
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one (PubChem CID 23151162) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
PubChem CID23151162
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1F
InChIInChI=1S/C24H26FN3O2/c1-16-26-22-8-3-2-7-20(22)24(29)28(16)23-10-9-19(15-21(23)25)30-18-11-13-27(14-12-18)17-5-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3
InChIKeyGIAJFGCHGOWJTG-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one (CID 23151162) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1F.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one?
The InChIKey is GIAJFGCHGOWJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16-26-22-8-3-2-7-20(22)24(29)28(16)23-10-9-19(15-21(23)25)30-18-11-13-27(14-12-18)17-5-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one has a molecular weight of 407.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 23151162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).