1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone

C19H18N2O — CID 798235

IUPAC1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-5-4-6-17-18(11-13(2)20-19(12)17)21-16-9-7-15(8-10-16)14(3)22/h4-11H,1-3H3,(H,20,21)
InChIKeyLIUFYSTXJLHGRW-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.80
Rot. Bonds3

About 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone

1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone (PubChem CID 798235) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone
PubChem CID798235
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-5-4-6-17-18(11-13(2)20-19(12)17)21-16-9-7-15(8-10-16)14(3)22/h4-11H,1-3H3,(H,20,21)
InChIKeyLIUFYSTXJLHGRW-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone (CID 798235) is 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1.
What is the InChIKey of 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone?
The InChIKey is LIUFYSTXJLHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-5-4-6-17-18(11-13(2)20-19(12)17)21-16-9-7-15(8-10-16)14(3)22/h4-11H,1-3H3,(H,20,21).
What are the key properties of 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone?
1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 798235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).