1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride

C16H25ClN2O — CID 119772966

IUPAC1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCc2c(C)cc(C)cc21.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-8-12(2)14-6-5-7-18(15(14)9-11)16(19)13(3)10-17-4;/h8-9,13,17H,5-7,10H2,1-4H3;1H
InChIKeyMDPBPDVPULTOBY-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.86
Rot. Bonds3

About 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride

1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride (PubChem CID 119772966) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
PubChem CID119772966
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CCCc2c(C)cc(C)cc21.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-8-12(2)14-6-5-7-18(15(14)9-11)16(19)13(3)10-17-4;/h8-9,13,17H,5-7,10H2,1-4H3;1H
InChIKeyMDPBPDVPULTOBY-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride (CID 119772966) is 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride is CNCC(C)C(=O)N1CCCc2c(C)cc(C)cc21.Cl.
What is the InChIKey of 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The InChIKey is MDPBPDVPULTOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11-8-12(2)14-6-5-7-18(15(14)9-11)16(19)13(3)10-17-4;/h8-9,13,17H,5-7,10H2,1-4H3;1H.
What are the key properties of 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 119772966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).