3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one

C24H27N3O2 — CID 172752765

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
SMILESCc1cccc2ncn(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12
InChIInChI=1S/C24H27N3O2/c1-17-4-2-7-22-23(17)24(28)27(16-25-22)19-8-10-20(11-9-19)29-21-12-14-26(15-13-21)18-5-3-6-18/h2,4,7-11,16,18,21H,3,5-6,12-15H2,1H3
InChIKeyKPFBRSQPFSSXLL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.09
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one (PubChem CID 172752765) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
PubChem CID172752765
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
SMILESCc1cccc2ncn(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12
InChIInChI=1S/C24H27N3O2/c1-17-4-2-7-22-23(17)24(28)27(16-25-22)19-8-10-20(11-9-19)29-21-12-14-26(15-13-21)18-5-3-6-18/h2,4,7-11,16,18,21H,3,5-6,12-15H2,1H3
InChIKeyKPFBRSQPFSSXLL-UHFFFAOYSA-N
XLogP4.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.09
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]-5-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one (CID 172752765) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one is Cc1cccc2ncn(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one?
The InChIKey is KPFBRSQPFSSXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-4-2-7-22-23(17)24(28)27(16-25-22)19-8-10-20(11-9-19)29-21-12-14-26(15-13-21)18-5-3-6-18/h2,4,7-11,16,18,21H,3,5-6,12-15H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.09, 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]-5-methylquinazolin-4-one is sourced from PubChem (CID 172752765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).