methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate

C20H26N2O2 — CID 8540042

IUPACmethyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1C
InChIInChI=1S/C20H26N2O2/c1-13-9-14(2)11-22(10-13)12-18-19(20(23)24-4)15(3)16-7-5-6-8-17(16)21-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyAREZTGSFUVYRCA-ZIAGYGMSSA-N
MW326.44 g/mol
LogP3.81
Rot. Bonds3

About methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate

methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate (PubChem CID 8540042) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
PubChem CID8540042
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Namemethyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1C
InChIInChI=1S/C20H26N2O2/c1-13-9-14(2)11-22(10-13)12-18-19(20(23)24-4)15(3)16-7-5-6-8-17(16)21-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1
InChIKeyAREZTGSFUVYRCA-ZIAGYGMSSA-N
XLogP3.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8694980
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate
CID 8595371
methyl 4-methyl-2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]quinoline-3-carboxylate
CID 9000659
methyl 4-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 8601352
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
methyl acridine-9-carboxylate
CID 21211
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 24604370

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate (CID 8540042) is methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate is COC(=O)c1c(CN2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1C.
What is the InChIKey of methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The InChIKey is AREZTGSFUVYRCA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-9-14(2)11-22(10-13)12-18-19(20(23)24-4)15(3)16-7-5-6-8-17(16)21-18/h5-8,13-14H,9-12H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8540042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).