1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol

C23H26N4O2 — CID 58451148

IUPAC1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol
SMILESOC1CN(c2ncnc3ccccc23)CC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-21-15-27(22-18-8-4-5-9-19(18)24-16-25-22)14-20(21)26-12-10-23(29,11-13-26)17-6-2-1-3-7-17/h1-9,16,20-21,28-29H,10-15H2
InChIKeyRESAYVYZPLRECA-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol

1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol (PubChem CID 58451148) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol
PubChem CID58451148
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol
SMILESOC1CN(c2ncnc3ccccc23)CC1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-21-15-27(22-18-8-4-5-9-19(18)24-16-25-22)14-20(21)26-12-10-23(29,11-13-26)17-6-2-1-3-7-17/h1-9,16,20-21,28-29H,10-15H2
InChIKeyRESAYVYZPLRECA-UHFFFAOYSA-N
XLogP2.16
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol 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 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol (CID 58451148) is 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol is OC1CN(c2ncnc3ccccc23)CC1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol?
The InChIKey is RESAYVYZPLRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-21-15-27(22-18-8-4-5-9-19(18)24-16-25-22)14-20(21)26-12-10-23(29,11-13-26)17-6-2-1-3-7-17/h1-9,16,20-21,28-29H,10-15H2.
What are the key properties of 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol?
1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol has a molecular weight of 390.49 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-quinazolin-4-ylpyrrolidin-3-yl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 58451148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).