8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one

C17H19N3O3 — CID 169212560

IUPAC8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one
SMILESCOc1cc(C(C)=O)c2nc(N3CC4CC4C3)n(C)c(=O)c2c1
InChIInChI=1S/C17H19N3O3/c1-9(21)13-5-12(23-3)6-14-15(13)18-17(19(2)16(14)22)20-7-10-4-11(10)8-20/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyOERSNQAEQFKVQY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.60
Rot. Bonds3

About 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one

8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one (PubChem CID 169212560) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one
PubChem CID169212560
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one
SMILESCOc1cc(C(C)=O)c2nc(N3CC4CC4C3)n(C)c(=O)c2c1
InChIInChI=1S/C17H19N3O3/c1-9(21)13-5-12(23-3)6-14-15(13)18-17(19(2)16(14)22)20-7-10-4-11(10)8-20/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyOERSNQAEQFKVQY-UHFFFAOYSA-N
XLogP1.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one (CID 169212560) is 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one is COc1cc(C(C)=O)c2nc(N3CC4CC4C3)n(C)c(=O)c2c1.
What is the InChIKey of 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one?
The InChIKey is OERSNQAEQFKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-9(21)13-5-12(23-3)6-14-15(13)18-17(19(2)16(14)22)20-7-10-4-11(10)8-20/h5-6,10-11H,4,7-8H2,1-3H3.
What are the key properties of 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one?
8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-methoxy-3-methylquinazolin-4-one is sourced from PubChem (CID 169212560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).