1-(2,2,4-trimethylquinolin-1-yl)ethanone

C14H17NO — CID 698299

IUPAC1-(2,2,4-trimethylquinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(C)=CC1(C)C
InChIInChI=1S/C14H17NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-9H,1-4H3
InChIKeyNTEBDFQFERUHKG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.23
Rot. Bonds

About 1-(2,2,4-trimethylquinolin-1-yl)ethanone

1-(2,2,4-trimethylquinolin-1-yl)ethanone (PubChem CID 698299) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2,2,4-trimethylquinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4-trimethylquinolin-1-yl)ethanone
PubChem CID698299
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2,2,4-trimethylquinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(C)=CC1(C)C
InChIInChI=1S/C14H17NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-9H,1-4H3
InChIKeyNTEBDFQFERUHKG-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The IUPAC name of 1-(2,2,4-trimethylquinolin-1-yl)ethanone (CID 698299) is 1-(2,2,4-trimethylquinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,4-trimethylquinolin-1-yl)ethanone is CC(=O)N1c2ccccc2C(C)=CC1(C)C.
What is the InChIKey of 1-(2,2,4-trimethylquinolin-1-yl)ethanone?
The InChIKey is NTEBDFQFERUHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-9-14(3,4)15(11(2)16)13-8-6-5-7-12(10)13/h5-9H,1-4H3.
What are the key properties of 1-(2,2,4-trimethylquinolin-1-yl)ethanone?
1-(2,2,4-trimethylquinolin-1-yl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethylquinolin-1-yl)ethanone is sourced from PubChem (CID 698299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).