1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane

C17H28N2O — CID 143769342

IUPAC1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane
SMILESC.CC.CC(=O)N1c2ccc(N)cc2C(C)=CC1(C)C
InChIInChI=1S/C14H18N2O.C2H6.CH4/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;1-2;/h5-8H,15H2,1-4H3;1-2H3;1H4
InChIKeyFLYCWRQMBATROF-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.48
Rot. Bonds

About 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane

1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane (PubChem CID 143769342) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane.

Molecular Properties

Compound Name1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane
PubChem CID143769342
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane
SMILESC.CC.CC(=O)N1c2ccc(N)cc2C(C)=CC1(C)C
InChIInChI=1S/C14H18N2O.C2H6.CH4/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;1-2;/h5-8H,15H2,1-4H3;1-2H3;1H4
InChIKeyFLYCWRQMBATROF-UHFFFAOYSA-N
XLogP4.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane?
The IUPAC name of 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane (CID 143769342) is 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane.
What is the SMILES notation for 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane?
The canonical SMILES for 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane is C.CC.CC(=O)N1c2ccc(N)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane?
The InChIKey is FLYCWRQMBATROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6.CH4/c1-9-8-14(3,4)16(10(2)17)13-6-5-11(15)7-12(9)13;1-2;/h5-8H,15H2,1-4H3;1-2H3;1H4.
What are the key properties of 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane?
1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane has a molecular weight of 276.42 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,2,4-trimethylquinolin-1-yl)ethanone;ethane;methane is sourced from PubChem (CID 143769342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).