1-[2-(dimethylamino)quinolin-6-yl]ethanone

C13H14N2O — CID 67106365

IUPAC1-[2-(dimethylamino)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(N(C)C)ccc2c1
InChIInChI=1S/C13H14N2O/c1-9(16)10-4-6-12-11(8-10)5-7-13(14-12)15(2)3/h4-8H,1-3H3
InChIKeyCXIRZNHXPYEDPM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.50
Rot. Bonds2

About 1-[2-(dimethylamino)quinolin-6-yl]ethanone

1-[2-(dimethylamino)quinolin-6-yl]ethanone (PubChem CID 67106365) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)quinolin-6-yl]ethanone
PubChem CID67106365
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[2-(dimethylamino)quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(N(C)C)ccc2c1
InChIInChI=1S/C13H14N2O/c1-9(16)10-4-6-12-11(8-10)5-7-13(14-12)15(2)3/h4-8H,1-3H3
InChIKeyCXIRZNHXPYEDPM-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)quinolin-6-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)quinolin-6-yl]ethanone (CID 67106365) is 1-[2-(dimethylamino)quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)quinolin-6-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)quinolin-6-yl]ethanone is CC(=O)c1ccc2nc(N(C)C)ccc2c1.
What is the InChIKey of 1-[2-(dimethylamino)quinolin-6-yl]ethanone?
The InChIKey is CXIRZNHXPYEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(16)10-4-6-12-11(8-10)5-7-13(14-12)15(2)3/h4-8H,1-3H3.
What are the key properties of 1-[2-(dimethylamino)quinolin-6-yl]ethanone?
1-[2-(dimethylamino)quinolin-6-yl]ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)quinolin-6-yl]ethanone is sourced from PubChem (CID 67106365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).