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

C22H25N3O2 — CID 11537851

IUPAC3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C22H25N3O2/c1-3-24-14-12-19(13-15-24)27-18-10-8-17(9-11-18)25-16(2)23-21-7-5-4-6-20(21)22(25)26/h4-11,19H,3,12-15H2,1-2H3
InChIKeyHIJRHPJHLUTNER-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.56
Rot. Bonds4

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

3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (PubChem CID 11537851) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
PubChem CID11537851
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C22H25N3O2/c1-3-24-14-12-19(13-15-24)27-18-10-8-17(9-11-18)25-16(2)23-21-7-5-4-6-20(21)22(25)26/h4-11,19H,3,12-15H2,1-2H3
InChIKeyHIJRHPJHLUTNER-UHFFFAOYSA-N
XLogP3.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (CID 11537851) is 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is CCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The InChIKey is HIJRHPJHLUTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-24-14-12-19(13-15-24)27-18-10-8-17(9-11-18)25-16(2)23-21-7-5-4-6-20(21)22(25)26/h4-11,19H,3,12-15H2,1-2H3.
What are the key properties of 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 11537851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).