1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone

C17H21NO — CID 82448312

IUPAC1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
SMILESCCc1ccc2nc(C(C)(C)C)cc(C(C)=O)c2c1
InChIInChI=1S/C17H21NO/c1-6-12-7-8-15-14(9-12)13(11(2)19)10-16(18-15)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyXJUWUCCYTWQCEF-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.30
Rot. Bonds2

About 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone

1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone (PubChem CID 82448312) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
PubChem CID82448312
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
SMILESCCc1ccc2nc(C(C)(C)C)cc(C(C)=O)c2c1
InChIInChI=1S/C17H21NO/c1-6-12-7-8-15-14(9-12)13(11(2)19)10-16(18-15)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyXJUWUCCYTWQCEF-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone (CID 82448312) is 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone is CCc1ccc2nc(C(C)(C)C)cc(C(C)=O)c2c1.
What is the InChIKey of 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone?
The InChIKey is XJUWUCCYTWQCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-6-12-7-8-15-14(9-12)13(11(2)19)10-16(18-15)17(3,4)5/h7-10H,6H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone?
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone is sourced from PubChem (CID 82448312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).