1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one

C26H41NO — CID 134243409

IUPAC1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one
SMILESCC(C)(C)Cc1ccn2c(=O)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2c1
InChIInChI=1S/C26H41NO/c1-23(2,3)16-17-13-14-27-18(15-17)19(24(4,5)6)20(25(7,8)9)21(22(27)28)26(10,11)12/h13-15H,16H2,1-12H3
InChIKeySECNXAHFLIZRDX-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.78
Rot. Bonds1

About 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one

1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one (PubChem CID 134243409) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one.

Molecular Properties

Compound Name1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one
PubChem CID134243409
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one
SMILESCC(C)(C)Cc1ccn2c(=O)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2c1
InChIInChI=1S/C26H41NO/c1-23(2,3)16-17-13-14-27-18(15-17)19(24(4,5)6)20(25(7,8)9)21(22(27)28)26(10,11)12/h13-15H,16H2,1-12H3
InChIKeySECNXAHFLIZRDX-UHFFFAOYSA-N
XLogP6.78
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butylquinolizin-4-one
CID 134908898
1-(2-Cyclohexylidene-1-pyridinyl)-3,3-difluoro-2,2-dimethylbutan-1-one
CID 162571236
1-Butyl-3,4-ditert-butylpyridin-2-one
CID 20871981
3,4-Ditert-butyl-1-propylpyridin-2-one
CID 23552366
1-(3,3-Dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
CID 58513899
1,3,4-Tritert-butylpyridin-2-one
CID 59864261
10,10-dimethyl-7,11-dihydro-6H-benzo[a]quinolizin-4-one
CID 118609755
2-Tert-butylquinolizin-4-one
CID 122619325
4-(3-Methylhexan-3-yl)-1-(3-methylpentan-3-yl)pyridin-2-one
CID 123330325
N-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 132070994
1,2,3-Tritert-butylquinolizin-4-one
CID 134237739
1-Tert-butyl-2,3-diethylquinolizin-4-one
CID 134243383

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one?
The IUPAC name of 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one (CID 134243409) is 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one.
What is the SMILES notation for 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one?
The canonical SMILES for 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one is CC(C)(C)Cc1ccn2c(=O)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c2c1.
What is the InChIKey of 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one?
The InChIKey is SECNXAHFLIZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-23(2,3)16-17-13-14-27-18(15-17)19(24(4,5)6)20(25(7,8)9)21(22(27)28)26(10,11)12/h13-15H,16H2,1-12H3.
What are the key properties of 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one?
1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one has a molecular weight of 383.62 g/mol, XLogP of 6.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tritert-butyl-8-(2,2-dimethylpropyl)quinolizin-4-one is sourced from PubChem (CID 134243409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).