2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C14H20N2O2 — CID 81088199

IUPAC2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11-7-4-8-16(13(10)11)14(17)12(15)9-18-2/h3,5-6,12H,4,7-9,15H2,1-2H3
InChIKeyOZOBDQSRDXIJDH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 81088199) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID81088199
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11-7-4-8-16(13(10)11)14(17)12(15)9-18-2/h3,5-6,12H,4,7-9,15H2,1-2H3
InChIKeyOZOBDQSRDXIJDH-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 61253817
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
[4-[(2R)-2-amino-3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54517051
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115439469
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 86885705
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 81088199) is 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is COCC(N)C(=O)N1CCCc2cccc(C)c21.
What is the InChIKey of 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is OZOBDQSRDXIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-6-11-7-4-8-16(13(10)11)14(17)12(15)9-18-2/h3,5-6,12H,4,7-9,15H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 81088199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).