3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride

C20H25ClN2O — CID 119733408

IUPAC3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(C)C(N)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-14-12-13-22(18-11-7-6-10-17(14)18)20(23)15(2)19(21)16-8-4-3-5-9-16;/h3-11,14-15,19H,12-13,21H2,1-2H3;1H
InChIKeyZWDYBWZZMKMJLY-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.28
Rot. Bonds3

About 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride

3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119733408) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119733408
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(C)C(N)c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-14-12-13-22(18-11-7-6-10-17(14)18)20(23)15(2)19(21)16-8-4-3-5-9-16;/h3-11,14-15,19H,12-13,21H2,1-2H3;1H
InChIKeyZWDYBWZZMKMJLY-UHFFFAOYSA-N
XLogP4.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119733408) is 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride is CC1CCN(C(=O)C(C)C(N)c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is ZWDYBWZZMKMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-14-12-13-22(18-11-7-6-10-17(14)18)20(23)15(2)19(21)16-8-4-3-5-9-16;/h3-11,14-15,19H,12-13,21H2,1-2H3;1H.
What are the key properties of 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride?
3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119733408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).