1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride

C20H21ClN2O — CID 2790788

IUPAC1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-12-8-13(2)20-18(9-12)19(10-14(3)21-20)22-17-7-5-6-16(11-17)15(4)23;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyNGHIQVPPLIASOG-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.53
Rot. Bonds3

About 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride

1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride (PubChem CID 2790788) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
PubChem CID2790788
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1.Cl
InChIInChI=1S/C20H20N2O.ClH/c1-12-8-13(2)20-18(9-12)19(10-14(3)21-20)22-17-7-5-6-16(11-17)15(4)23;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyNGHIQVPPLIASOG-UHFFFAOYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride (CID 2790788) is 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride is CC(=O)c1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1.Cl.
What is the InChIKey of 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
The InChIKey is NGHIQVPPLIASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c1-12-8-13(2)20-18(9-12)19(10-14(3)21-20)22-17-7-5-6-16(11-17)15(4)23;/h5-11H,1-4H3,(H,21,22);1H.
What are the key properties of 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride?
1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 2790788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).