1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C13H17NO — CID 139325971

IUPAC1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC(C)[C@@H]1C
InChIInChI=1S/C13H17NO/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-7,9-10H,8H2,1-3H3/t9?,10-/m0/s1
InChIKeyLVUWIOWWVUXHSY-AXDSSHIGSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds

About 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 139325971) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID139325971
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC(C)[C@@H]1C
InChIInChI=1S/C13H17NO/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-7,9-10H,8H2,1-3H3/t9?,10-/m0/s1
InChIKeyLVUWIOWWVUXHSY-AXDSSHIGSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
benzyl carbamate;1-[(2R,3R)-2-(fluoromethyl)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701952
1-[(2S,3R)-6-(4-aminopiperidin-1-yl)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;aniline
CID 144701643
1-[(2S,3R)-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139326154
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 139325971) is 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccccc2CC(C)[C@@H]1C.
What is the InChIKey of 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is LVUWIOWWVUXHSY-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-8-12-6-4-5-7-13(12)14(10(9)2)11(3)15/h4-7,9-10H,8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 203.29 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 139325971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).