(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline

C14H21N — CID 144701726

IUPAC(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc2c(c1)CC(C)[C@H](C)N2C
InChIInChI=1S/C14H21N/c1-5-12-6-7-14-13(9-12)8-10(2)11(3)15(14)4/h6-7,9-11H,5,8H2,1-4H3/t10?,11-/m0/s1
InChIKeyRITIGDXGAROKRQ-DTIOYNMSSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds1

About (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline

(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline (PubChem CID 144701726) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
PubChem CID144701726
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc2c(c1)CC(C)[C@H](C)N2C
InChIInChI=1S/C14H21N/c1-5-12-6-7-14-13(9-12)8-10(2)11(3)15(14)4/h6-7,9-11H,5,8H2,1-4H3/t10?,11-/m0/s1
InChIKeyRITIGDXGAROKRQ-DTIOYNMSSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
CID 139325985
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788
2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid
CID 83860991
2-cyclopropyl-6-ethyl-1-methyl-3,4-dihydro-2H-quinoline
CID 146650258
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
1-(6-ethyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623138
6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84623301
(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326429
1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
5-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 58525500
6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726554
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229

Frequently Asked Questions

What is the IUPAC name of (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline (CID 144701726) is (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline is CCc1ccc2c(c1)CC(C)[C@H](C)N2C.
What is the InChIKey of (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is RITIGDXGAROKRQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21N/c1-5-12-6-7-14-13(9-12)8-10(2)11(3)15(14)4/h6-7,9-11H,5,8H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline?
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 203.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 144701726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).