1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride

C19H19ClN2O — CID 2789802

IUPAC1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-12-7-8-18-17(9-12)19(10-13(2)20-18)21-16-6-4-5-15(11-16)14(3)22;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyDKUQKLXFTOTLNF-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.22
Rot. Bonds3

About 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride

1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride (PubChem CID 2789802) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
PubChem CID2789802
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-12-7-8-18-17(9-12)19(10-13(2)20-18)21-16-6-4-5-15(11-16)14(3)22;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyDKUQKLXFTOTLNF-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride (CID 2789802) is 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride is CC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl.
What is the InChIKey of 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The InChIKey is DKUQKLXFTOTLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c1-12-7-8-18-17(9-12)19(10-13(2)20-18)21-16-6-4-5-15(11-16)14(3)22;/h4-11H,1-3H3,(H,20,21);1H.
What are the key properties of 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 2789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).