4-piperidin-1-yl-2-pyridin-4-ylquinazoline

C18H18N4 — CID 820815

IUPAC4-piperidin-1-yl-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H18N4/c1-4-12-22(13-5-1)18-15-6-2-3-7-16(15)20-17(21-18)14-8-10-19-11-9-14/h2-3,6-11H,1,4-5,12-13H2
InChIKeyADWTWBGYGXEQOR-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds2

About 4-piperidin-1-yl-2-pyridin-4-ylquinazoline

4-piperidin-1-yl-2-pyridin-4-ylquinazoline (PubChem CID 820815) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-piperidin-1-yl-2-pyridin-4-ylquinazoline
PubChem CID820815
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-piperidin-1-yl-2-pyridin-4-ylquinazoline
SMILESc1ccc2c(N3CCCCC3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H18N4/c1-4-12-22(13-5-1)18-15-6-2-3-7-16(15)20-17(21-18)14-8-10-19-11-9-14/h2-3,6-11H,1,4-5,12-13H2
InChIKeyADWTWBGYGXEQOR-UHFFFAOYSA-N
XLogP3.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-piperidin-1-yl-2-pyridin-4-ylquinazoline (CID 820815) is 4-piperidin-1-yl-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-piperidin-1-yl-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-piperidin-1-yl-2-pyridin-4-ylquinazoline is c1ccc2c(N3CCCCC3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 4-piperidin-1-yl-2-pyridin-4-ylquinazoline?
The InChIKey is ADWTWBGYGXEQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-4-12-22(13-5-1)18-15-6-2-3-7-16(15)20-17(21-18)14-8-10-19-11-9-14/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 4-piperidin-1-yl-2-pyridin-4-ylquinazoline?
4-piperidin-1-yl-2-pyridin-4-ylquinazoline has a molecular weight of 290.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 820815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).