6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one

C17H16N4O2 — CID 156870459

IUPAC6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2cccnc2)nc2ccc(N3CCC3)cc12
InChIInChI=1S/C17H16N4O2/c22-17-14-9-12(21-7-2-8-21)4-5-15(14)19-16(20-17)11-23-13-3-1-6-18-10-13/h1,3-6,9-10H,2,7-8,11H2,(H,19,20,22)
InChIKeySPUNFCRGXCNPBJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.11
Rot. Bonds4

About 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one

6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one (PubChem CID 156870459) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
PubChem CID156870459
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2cccnc2)nc2ccc(N3CCC3)cc12
InChIInChI=1S/C17H16N4O2/c22-17-14-9-12(21-7-2-8-21)4-5-15(14)19-16(20-17)11-23-13-3-1-6-18-10-13/h1,3-6,9-10H,2,7-8,11H2,(H,19,20,22)
InChIKeySPUNFCRGXCNPBJ-UHFFFAOYSA-N
XLogP2.11
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one (CID 156870459) is 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one is O=c1[nH]c(COc2cccnc2)nc2ccc(N3CCC3)cc12.
What is the InChIKey of 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
The InChIKey is SPUNFCRGXCNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17-14-9-12(21-7-2-8-21)4-5-15(14)19-16(20-17)11-23-13-3-1-6-18-10-13/h1,3-6,9-10H,2,7-8,11H2,(H,19,20,22).
What are the key properties of 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one?
6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 156870459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).