3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one

C25H29N3O2 — CID 23151367

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one
SMILESCc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12
InChIInChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
InChIKeyLCORHUWUZKGEHY-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.40
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one (PubChem CID 23151367) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one
PubChem CID23151367
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one
SMILESCc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12
InChIInChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
InChIKeyLCORHUWUZKGEHY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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]-2,5-dimethylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one (CID 23151367) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one is Cc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one?
The InChIKey is LCORHUWUZKGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2,5-dimethylquinazolin-4-one has a molecular weight of 403.53 g/mol, XLogP of 4.40, 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]-2,5-dimethylquinazolin-4-one is sourced from PubChem (CID 23151367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).