1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C12H15NO2 — CID 118075867

IUPAC1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2cccc(O)c2CC[C@@H]1C
InChIInChI=1S/C12H15NO2/c1-8-6-7-10-11(13(8)9(2)14)4-3-5-12(10)15/h3-5,8,15H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyRRMGHAYLUDKIMV-QMMMGPOBSA-N
MW205.26 g/mol
LogP2.08
Rot. Bonds

About 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118075867) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118075867
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2cccc(O)c2CC[C@@H]1C
InChIInChI=1S/C12H15NO2/c1-8-6-7-10-11(13(8)9(2)14)4-3-5-12(10)15/h3-5,8,15H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyRRMGHAYLUDKIMV-QMMMGPOBSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 45120188
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 69466377
1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 162374357
1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
CID 118076382
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71291078
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
1-[6-(4-hydroperoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123143174
(4S)-5-acetyl-4-methyl-1-(2-oxopropyl)-3,4-dihydro-1,5-benzodiazepin-2-one
CID 849648

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118075867) is 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2cccc(O)c2CC[C@@H]1C.
What is the InChIKey of 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is RRMGHAYLUDKIMV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-6-7-10-11(13(8)9(2)14)4-3-5-12(10)15/h3-5,8,15H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118075867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).