3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one

C24H25F2N3O2 — CID 23151246

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H25F2N3O2/c1-15-27-23-14-22(26)21(25)13-20(23)24(30)29(15)17-5-7-18(8-6-17)31-19-9-11-28(12-10-19)16-3-2-4-16/h5-8,13-14,16,19H,2-4,9-12H2,1H3
InChIKeyCVVBOEYFLVYBMA-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.37
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one (PubChem CID 23151246) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one
PubChem CID23151246
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H25F2N3O2/c1-15-27-23-14-22(26)21(25)13-20(23)24(30)29(15)17-5-7-18(8-6-17)31-19-9-11-28(12-10-19)16-3-2-4-16/h5-8,13-14,16,19H,2-4,9-12H2,1H3
InChIKeyCVVBOEYFLVYBMA-UHFFFAOYSA-N
XLogP4.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.37
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]-6,7-difluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one (CID 23151246) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one is Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one?
The InChIKey is CVVBOEYFLVYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-15-27-23-14-22(26)21(25)13-20(23)24(30)29(15)17-5-7-18(8-6-17)31-19-9-11-28(12-10-19)16-3-2-4-16/h5-8,13-14,16,19H,2-4,9-12H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6,7-difluoro-2-methylquinazolin-4-one has a molecular weight of 425.48 g/mol, XLogP of 4.37, 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]-6,7-difluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 23151246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).