1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone

C17H21NO — CID 175328569

IUPAC1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
SMILESCC(=O)c1c(C)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H21NO/c1-10-11(2)18-15-8-7-13(17(4,5)6)9-14(15)16(10)12(3)19/h7-9H,1-6H3
InChIKeyLAFOAZNKUIEWCG-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.35
Rot. Bonds1

About 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone

1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone (PubChem CID 175328569) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
PubChem CID175328569
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
SMILESCC(=O)c1c(C)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H21NO/c1-10-11(2)18-15-8-7-13(17(4,5)6)9-14(15)16(10)12(3)19/h7-9H,1-6H3
InChIKeyLAFOAZNKUIEWCG-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone?
The IUPAC name of 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone (CID 175328569) is 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone is CC(=O)c1c(C)c(C)nc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone?
The InChIKey is LAFOAZNKUIEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-10-11(2)18-15-8-7-13(17(4,5)6)9-14(15)16(10)12(3)19/h7-9H,1-6H3.
What are the key properties of 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone?
1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone is sourced from PubChem (CID 175328569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).