(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline

C13H19N — CID 139325985

IUPAC(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)C[C@@H](C)[C@H](C)N2C
InChIInChI=1S/C13H19N/c1-9-5-6-13-12(7-9)8-10(2)11(3)14(13)4/h5-7,10-11H,8H2,1-4H3/t10-,11+/m1/s1
InChIKeyXUHVIPBQKLENGT-MNOVXSKESA-N
MW189.30 g/mol
LogP3.01
Rot. Bonds

About (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline

(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline (PubChem CID 139325985) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
PubChem CID139325985
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)C[C@@H](C)[C@H](C)N2C
InChIInChI=1S/C13H19N/c1-9-5-6-13-12(7-9)8-10(2)11(3)14(13)4/h5-7,10-11H,8H2,1-4H3/t10-,11+/m1/s1
InChIKeyXUHVIPBQKLENGT-MNOVXSKESA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline (CID 139325985) is (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)C[C@@H](C)[C@H](C)N2C.
What is the InChIKey of (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline?
The InChIKey is XUHVIPBQKLENGT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-6-13-12(7-9)8-10(2)11(3)14(13)4/h5-7,10-11H,8H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline?
(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline has a molecular weight of 189.30 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139325985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).