1-tert-butyl-2,3-diethylquinolizin-4-one

C17H23NO — CID 134243383

IUPAC1-tert-butyl-2,3-diethylquinolizin-4-one
SMILESCCc1c(CC)c(=O)n2ccccc2c1C(C)(C)C
InChIInChI=1S/C17H23NO/c1-6-12-13(7-2)16(19)18-11-9-8-10-14(18)15(12)17(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyVKTKVANOJSPPNP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.72
Rot. Bonds2

About 1-tert-butyl-2,3-diethylquinolizin-4-one

1-tert-butyl-2,3-diethylquinolizin-4-one (PubChem CID 134243383) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-tert-butyl-2,3-diethylquinolizin-4-one.

Molecular Properties

Compound Name1-tert-butyl-2,3-diethylquinolizin-4-one
PubChem CID134243383
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-tert-butyl-2,3-diethylquinolizin-4-one
SMILESCCc1c(CC)c(=O)n2ccccc2c1C(C)(C)C
InChIInChI=1S/C17H23NO/c1-6-12-13(7-2)16(19)18-11-9-8-10-14(18)15(12)17(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyVKTKVANOJSPPNP-UHFFFAOYSA-N
XLogP3.72
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-diethylquinolizin-4-one?
The IUPAC name of 1-tert-butyl-2,3-diethylquinolizin-4-one (CID 134243383) is 1-tert-butyl-2,3-diethylquinolizin-4-one.
What is the SMILES notation for 1-tert-butyl-2,3-diethylquinolizin-4-one?
The canonical SMILES for 1-tert-butyl-2,3-diethylquinolizin-4-one is CCc1c(CC)c(=O)n2ccccc2c1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,3-diethylquinolizin-4-one?
The InChIKey is VKTKVANOJSPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-6-12-13(7-2)16(19)18-11-9-8-10-14(18)15(12)17(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,3-diethylquinolizin-4-one?
1-tert-butyl-2,3-diethylquinolizin-4-one has a molecular weight of 257.38 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-diethylquinolizin-4-one is sourced from PubChem (CID 134243383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).