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

C14H21N — CID 7823786

IUPAC(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2
InChIInChI=1S/C14H21N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyHZACWRNMJMRXAI-JTQLQIEISA-N
MW203.33 g/mol
LogP3.95
Rot. Bonds1

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

(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 7823786) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID7823786
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2
InChIInChI=1S/C14H21N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3/t10-/m0/s1
InChIKeyHZACWRNMJMRXAI-JTQLQIEISA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (CID 7823786) is (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline is CCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2.
What is the InChIKey of (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is HZACWRNMJMRXAI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 203.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 7823786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).