methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate

C12H15NO3 — CID 148941310

IUPACmethyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate
SMILESCOC(=O)[C@]1(C)CC[C@H](O)c2ncccc21
InChIInChI=1S/C12H15NO3/c1-12(11(15)16-2)6-5-9(14)10-8(12)4-3-7-13-10/h3-4,7,9,14H,5-6H2,1-2H3/t9-,12+/m0/s1
InChIKeyPNYOOOPOMDMYPJ-JOYOIKCWSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds1

About methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate

methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate (PubChem CID 148941310) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate
PubChem CID148941310
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate
SMILESCOC(=O)[C@]1(C)CC[C@H](O)c2ncccc21
InChIInChI=1S/C12H15NO3/c1-12(11(15)16-2)6-5-9(14)10-8(12)4-3-7-13-10/h3-4,7,9,14H,5-6H2,1-2H3/t9-,12+/m0/s1
InChIKeyPNYOOOPOMDMYPJ-JOYOIKCWSA-N
XLogP1.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate?
The IUPAC name of methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate (CID 148941310) is methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate.
What is the SMILES notation for methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate?
The canonical SMILES for methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate is COC(=O)[C@]1(C)CC[C@H](O)c2ncccc21.
What is the InChIKey of methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate?
The InChIKey is PNYOOOPOMDMYPJ-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(11(15)16-2)6-5-9(14)10-8(12)4-3-7-13-10/h3-4,7,9,14H,5-6H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate?
methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,8S)-8-hydroxy-5-methyl-7,8-dihydro-6H-quinoline-5-carboxylate is sourced from PubChem (CID 148941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).