8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one

C17H20N2O3 — CID 169154544

IUPAC8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCOC3)nc12
InChIInChI=1S/C17H20N2O3/c1-10-7-12(11(2)20)14-13(8-10)15(21)19(4)16(18-14)17(3)5-6-22-9-17/h7-8H,5-6,9H2,1-4H3
InChIKeyIMHILYQRJHVUPT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds2

About 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one

8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one (PubChem CID 169154544) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one
PubChem CID169154544
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCOC3)nc12
InChIInChI=1S/C17H20N2O3/c1-10-7-12(11(2)20)14-13(8-10)15(21)19(4)16(18-14)17(3)5-6-22-9-17/h7-8H,5-6,9H2,1-4H3
InChIKeyIMHILYQRJHVUPT-UHFFFAOYSA-N
XLogP2.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one?
The IUPAC name of 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one (CID 169154544) is 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCOC3)nc12.
What is the InChIKey of 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one?
The InChIKey is IMHILYQRJHVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-7-12(11(2)20)14-13(8-10)15(21)19(4)16(18-14)17(3)5-6-22-9-17/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one?
8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one has a molecular weight of 300.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3,6-dimethyl-2-(3-methyloxolan-3-yl)quinazolin-4-one is sourced from PubChem (CID 169154544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).