ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate

C18H22N2O2 — CID 133387250

IUPACethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C18H22N2O2/c1-4-22-17(21)18(3)9-10-20(12-18)16-13(2)11-14-7-5-6-8-15(14)19-16/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyBRWOCPURHSKARG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.32
Rot. Bonds3

About ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate

ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 133387250) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
PubChem CID133387250
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2nc3ccccc3cc2C)C1
InChIInChI=1S/C18H22N2O2/c1-4-22-17(21)18(3)9-10-20(12-18)16-13(2)11-14-7-5-6-8-15(14)19-16/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyBRWOCPURHSKARG-UHFFFAOYSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 63229377
ethyl 1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387283
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
CID 110644995
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
ethyl 3-methyl-1-phenylazetidine-3-carboxylate
CID 134994378
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354
ethyl 3-methyl-1-[6-(phenylcarbamoyl)pyridazin-3-yl]pyrrolidine-3-carboxylate
CID 133387197
ethyl 3-methyl-1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)pyrrolidine-3-carboxylate
CID 133387229
ethyl 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxylate
CID 133387200
ethyl 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387249

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate (CID 133387250) is ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate is CCOC(=O)C1(C)CCN(c2nc3ccccc3cc2C)C1.
What is the InChIKey of ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is BRWOCPURHSKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-22-17(21)18(3)9-10-20(12-18)16-13(2)11-14-7-5-6-8-15(14)19-16/h5-8,11H,4,9-10,12H2,1-3H3.
What are the key properties of ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate?
ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 133387250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).