1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C15H22N2O — CID 149069943

IUPAC1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](CC)[C@@H](N)c2ccccc2N1C(C)=O
InChIInChI=1S/C15H22N2O/c1-4-11-13(5-2)17(10(3)18)14-9-7-6-8-12(14)15(11)16/h6-9,11,13,15H,4-5,16H2,1-3H3/t11-,13?,15+/m0/s1
InChIKeyQNOYWDBQVSPMIJ-LKVSRFHLSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds2

About 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 149069943) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID149069943
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](CC)[C@@H](N)c2ccccc2N1C(C)=O
InChIInChI=1S/C15H22N2O/c1-4-11-13(5-2)17(10(3)18)14-9-7-6-8-12(14)15(11)16/h6-9,11,13,15H,4-5,16H2,1-3H3/t11-,13?,15+/m0/s1
InChIKeyQNOYWDBQVSPMIJ-LKVSRFHLSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
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-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 149069943) is 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCC1[C@H](CC)[C@@H](N)c2ccccc2N1C(C)=O.
What is the InChIKey of 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is QNOYWDBQVSPMIJ-LKVSRFHLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11-13(5-2)17(10(3)18)14-9-7-6-8-12(14)15(11)16/h6-9,11,13,15H,4-5,16H2,1-3H3/t11-,13?,15+/m0/s1.
What are the key properties of 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 149069943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).