7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

C15H16N4O3 — CID 75470429

IUPAC7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(Cc3noc(C(C)C)n3)cnc2c1
InChIInChI=1S/C15H16N4O3/c1-9(2)14-17-13(18-22-14)7-19-8-16-12-6-10(21-3)4-5-11(12)15(19)20/h4-6,8-9H,7H2,1-3H3
InChIKeyXKGNKGMKUGULMB-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.96
Rot. Bonds4

About 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (PubChem CID 75470429) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
PubChem CID75470429
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(Cc3noc(C(C)C)n3)cnc2c1
InChIInChI=1S/C15H16N4O3/c1-9(2)14-17-13(18-22-14)7-19-8-16-12-6-10(21-3)4-5-11(12)15(19)20/h4-6,8-9H,7H2,1-3H3
InChIKeyXKGNKGMKUGULMB-UHFFFAOYSA-N
XLogP1.96
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (CID 75470429) is 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is COc1ccc2c(=O)n(Cc3noc(C(C)C)n3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is XKGNKGMKUGULMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9(2)14-17-13(18-22-14)7-19-8-16-12-6-10(21-3)4-5-11(12)15(19)20/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 300.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 75470429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).