5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one

C20H27N3O4 — CID 136931829

IUPAC5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(OCCN3CCCCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H27N3O4/c24-20-19-17(21-14-22-20)12-16(26-11-8-23-6-2-1-3-7-23)13-18(19)27-15-4-9-25-10-5-15/h12-15H,1-11H2,(H,21,22,24)
InChIKeyHHERZSWBXNQSOP-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.35
Rot. Bonds6

About 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one

5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one (PubChem CID 136931829) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
PubChem CID136931829
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(OCCN3CCCCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H27N3O4/c24-20-19-17(21-14-22-20)12-16(26-11-8-23-6-2-1-3-7-23)13-18(19)27-15-4-9-25-10-5-15/h12-15H,1-11H2,(H,21,22,24)
InChIKeyHHERZSWBXNQSOP-UHFFFAOYSA-N
XLogP2.35
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one?
The IUPAC name of 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one (CID 136931829) is 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one is O=c1[nH]cnc2cc(OCCN3CCCCC3)cc(OC3CCOCC3)c12.
What is the InChIKey of 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one?
The InChIKey is HHERZSWBXNQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-20-19-17(21-14-22-20)12-16(26-11-8-23-6-2-1-3-7-23)13-18(19)27-15-4-9-25-10-5-15/h12-15H,1-11H2,(H,21,22,24).
What are the key properties of 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one?
5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one has a molecular weight of 373.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 136931829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).