3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one

C24H26FN3O2 — CID 23151210

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26FN3O2/c1-16-26-23-21(6-3-7-22(23)25)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
InChIKeyUORRYEIKTKCPBC-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.23
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one (PubChem CID 23151210) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one
PubChem CID23151210
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26FN3O2/c1-16-26-23-21(6-3-7-22(23)25)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
InChIKeyUORRYEIKTKCPBC-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)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one (CID 23151210) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one is Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one?
The InChIKey is UORRYEIKTKCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16-26-23-21(6-3-7-22(23)25)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-fluoro-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)oxyphenyl]-8-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 23151210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).