2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one

C25H29N3O2 — CID 11524225

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12
InChIInChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
InChIKeyFZAFEIPWODBIGS-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.30
Rot. Bonds4

About 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one (PubChem CID 11524225) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one
PubChem CID11524225
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12
InChIInChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
InChIKeyFZAFEIPWODBIGS-UHFFFAOYSA-N
XLogP4.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one (CID 11524225) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one is Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one?
The InChIKey is FZAFEIPWODBIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3.
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one?
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one has a molecular weight of 403.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,8-dimethylquinazolin-4-one is sourced from PubChem (CID 11524225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).