1-(8-amino-2-tert-butylquinolin-6-yl)ethanone

C15H18N2O — CID 3008488

IUPAC1-(8-amino-2-tert-butylquinolin-6-yl)ethanone
SMILESCC(=O)c1cc(N)c2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18N2O/c1-9(18)11-7-10-5-6-13(15(2,3)4)17-14(10)12(16)8-11/h5-8H,16H2,1-4H3
InChIKeyGBVXUPGWPBMJLN-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds1

About 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone

1-(8-amino-2-tert-butylquinolin-6-yl)ethanone (PubChem CID 3008488) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-amino-2-tert-butylquinolin-6-yl)ethanone
PubChem CID3008488
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(8-amino-2-tert-butylquinolin-6-yl)ethanone
SMILESCC(=O)c1cc(N)c2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18N2O/c1-9(18)11-7-10-5-6-13(15(2,3)4)17-14(10)12(16)8-11/h5-8H,16H2,1-4H3
InChIKeyGBVXUPGWPBMJLN-UHFFFAOYSA-N
XLogP3.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone?
The IUPAC name of 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone (CID 3008488) is 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone.
What is the SMILES notation for 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone?
The canonical SMILES for 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone is CC(=O)c1cc(N)c2nc(C(C)(C)C)ccc2c1.
What is the InChIKey of 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone?
The InChIKey is GBVXUPGWPBMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9(18)11-7-10-5-6-13(15(2,3)4)17-14(10)12(16)8-11/h5-8H,16H2,1-4H3.
What are the key properties of 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone?
1-(8-amino-2-tert-butylquinolin-6-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-2-tert-butylquinolin-6-yl)ethanone is sourced from PubChem (CID 3008488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).