1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol

C18H18N4O — CID 11415528

IUPAC1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C18H18N4O/c23-14-4-3-11-22(12-14)18-15-5-1-2-6-16(15)20-17(21-18)13-7-9-19-10-8-13/h1-2,5-10,14,23H,3-4,11-12H2
InChIKeyRIVCGQUOLXOMIL-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds2

About 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol

1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol (PubChem CID 11415528) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
PubChem CID11415528
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C18H18N4O/c23-14-4-3-11-22(12-14)18-15-5-1-2-6-16(15)20-17(21-18)13-7-9-19-10-8-13/h1-2,5-10,14,23H,3-4,11-12H2
InChIKeyRIVCGQUOLXOMIL-UHFFFAOYSA-N
XLogP2.65
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol (CID 11415528) is 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol is OC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1.
What is the InChIKey of 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol?
The InChIKey is RIVCGQUOLXOMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-14-4-3-11-22(12-14)18-15-5-1-2-6-16(15)20-17(21-18)13-7-9-19-10-8-13/h1-2,5-10,14,23H,3-4,11-12H2.
What are the key properties of 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol?
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol has a molecular weight of 306.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol is sourced from PubChem (CID 11415528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).