3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one

C18H17N5O3 — CID 14460525

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCCOc1cccc2c1c(=O)n(C)c1c(-c3nc(C4CC4)no3)ncn21
InChIInChI=1S/C18H17N5O3/c1-3-25-12-6-4-5-11-13(12)18(24)22(2)17-14(19-9-23(11)17)16-20-15(21-26-16)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyUXZHSMNBKXMPIA-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.51
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 14460525) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID14460525
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCCOc1cccc2c1c(=O)n(C)c1c(-c3nc(C4CC4)no3)ncn21
InChIInChI=1S/C18H17N5O3/c1-3-25-12-6-4-5-11-13(12)18(24)22(2)17-14(19-9-23(11)17)16-20-15(21-26-16)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyUXZHSMNBKXMPIA-UHFFFAOYSA-N
XLogP2.51
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one (CID 14460525) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one is CCOc1cccc2c1c(=O)n(C)c1c(-c3nc(C4CC4)no3)ncn21.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is UXZHSMNBKXMPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-3-25-12-6-4-5-11-13(12)18(24)22(2)17-14(19-9-23(11)17)16-20-15(21-26-16)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 351.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 14460525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).