methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate

C18H25NO2 — CID 101437251

IUPACmethyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)[C@@]1(C)Cc2ccccc2N[C@H]1C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-18(17(20)21-2)12-14-10-6-7-11-15(14)19-16(18)13-8-4-3-5-9-13/h6-7,10-11,13,16,19H,3-5,8-9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyKADLPZDGJMTPSG-WMZOPIPTSA-N
MW287.40 g/mol
LogP3.78
Rot. Bonds2

About methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate

methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate (PubChem CID 101437251) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
PubChem CID101437251
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namemethyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)[C@@]1(C)Cc2ccccc2N[C@H]1C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-18(17(20)21-2)12-14-10-6-7-11-15(14)19-16(18)13-8-4-3-5-9-13/h6-7,10-11,13,16,19H,3-5,8-9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyKADLPZDGJMTPSG-WMZOPIPTSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate (CID 101437251) is methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate is COC(=O)[C@@]1(C)Cc2ccccc2N[C@H]1C1CCCCC1.
What is the InChIKey of methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The InChIKey is KADLPZDGJMTPSG-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(17(20)21-2)12-14-10-6-7-11-15(14)19-16(18)13-8-4-3-5-9-13/h6-7,10-11,13,16,19H,3-5,8-9,12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-cyclohexyl-3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 101437251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).