4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one

C13H16N4O2 — CID 141113842

IUPAC4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one
SMILESNc1nc(=O)[nH]c2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C13H16N4O2/c14-12-10-2-1-9(7-11(10)16-13(18)17-12)19-8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H3,14,16,17,18)
InChIKeyIFOODQHNBDTXOH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.64
Rot. Bonds2

About 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one

4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one (PubChem CID 141113842) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one
PubChem CID141113842
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one
SMILESNc1nc(=O)[nH]c2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C13H16N4O2/c14-12-10-2-1-9(7-11(10)16-13(18)17-12)19-8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H3,14,16,17,18)
InChIKeyIFOODQHNBDTXOH-UHFFFAOYSA-N
XLogP0.64
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one?
The IUPAC name of 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one (CID 141113842) is 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one.
What is the SMILES notation for 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one?
The canonical SMILES for 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one is Nc1nc(=O)[nH]c2cc(OC3CCNCC3)ccc12.
What is the InChIKey of 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one?
The InChIKey is IFOODQHNBDTXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-12-10-2-1-9(7-11(10)16-13(18)17-12)19-8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H3,14,16,17,18).
What are the key properties of 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one?
4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-piperidin-4-yloxy-1H-quinazolin-2-one is sourced from PubChem (CID 141113842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).