4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol

C24H21ClN4O — CID 58279837

IUPAC4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C24H21ClN4O/c25-18-10-8-17(9-11-18)24(30)12-15-29(16-13-24)23-19-5-1-2-6-20(19)27-22(28-23)21-7-3-4-14-26-21/h1-11,14,30H,12-13,15-16H2
InChIKeyDUIMYPWHJAMRAB-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.83
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol

4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol (PubChem CID 58279837) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol
PubChem CID58279837
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C24H21ClN4O/c25-18-10-8-17(9-11-18)24(30)12-15-29(16-13-24)23-19-5-1-2-6-20(19)27-22(28-23)21-7-3-4-14-26-21/h1-11,14,30H,12-13,15-16H2
InChIKeyDUIMYPWHJAMRAB-UHFFFAOYSA-N
XLogP4.83
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol (CID 58279837) is 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol?
The InChIKey is DUIMYPWHJAMRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c25-18-10-8-17(9-11-18)24(30)12-15-29(16-13-24)23-19-5-1-2-6-20(19)27-22(28-23)21-7-3-4-14-26-21/h1-11,14,30H,12-13,15-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol has a molecular weight of 416.91 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 58279837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).