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

C14H19NO — CID 139325722

IUPAC1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC[C@H]1[C@H](C)Cc2ccccc2N1C(C)=O
InChIInChI=1S/C14H19NO/c1-4-13-10(2)9-12-7-5-6-8-14(12)15(13)11(3)16/h5-8,10,13H,4,9H2,1-3H3/t10-,13+/m1/s1
InChIKeyGAZVVBJJDYINLB-MFKMUULPSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds1

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

1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 139325722) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID139325722
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC[C@H]1[C@H](C)Cc2ccccc2N1C(C)=O
InChIInChI=1S/C14H19NO/c1-4-13-10(2)9-12-7-5-6-8-14(12)15(13)11(3)16/h5-8,10,13H,4,9H2,1-3H3/t10-,13+/m1/s1
InChIKeyGAZVVBJJDYINLB-MFKMUULPSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
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
benzyl carbamate;1-[(2R,3R)-2-(fluoromethyl)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701952
N-[4-[(2R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]formamide
CID 166139248
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[2-(4-ethyl-3-methyl-1,2-dihydroimidazol-2-yl)-2,3-dihydroindol-1-yl]ethanone
CID 142138763
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
tert-butyl 4-[(2S,3R)-1-acetyl-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144702086
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 139325722) is 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC[C@H]1[C@H](C)Cc2ccccc2N1C(C)=O.
What is the InChIKey of 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is GAZVVBJJDYINLB-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-13-10(2)9-12-7-5-6-8-14(12)15(13)11(3)16/h5-8,10,13H,4,9H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 139325722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).