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

C24H27N3O2 — CID 11618024

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
InChIKeyXNGZPZALQHQTNA-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.00
Rot. Bonds4

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

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (PubChem CID 11618024) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
PubChem CID11618024
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
InChIKeyXNGZPZALQHQTNA-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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-methylquinazolin-4-one?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (CID 11618024) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one is Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The InChIKey is XNGZPZALQHQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3.
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.00, 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-methylquinazolin-4-one is sourced from PubChem (CID 11618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).