ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate

C18H22N2O3 — CID 133410698

IUPACethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCC(C)(O)C1
InChIInChI=1S/C18H22N2O3/c1-4-23-17(21)14-10-19-15-6-5-12(2)9-13(15)16(14)20-8-7-18(3,22)11-20/h5-6,9-10,22H,4,7-8,11H2,1-3H3
InChIKeyDQUMMKVCHGEJOE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.68
Rot. Bonds3

About ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate

ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate (PubChem CID 133410698) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
PubChem CID133410698
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCC(C)(O)C1
InChIInChI=1S/C18H22N2O3/c1-4-23-17(21)14-10-19-15-6-5-12(2)9-13(15)16(14)20-8-7-18(3,22)11-20/h5-6,9-10,22H,4,7-8,11H2,1-3H3
InChIKeyDQUMMKVCHGEJOE-UHFFFAOYSA-N
XLogP2.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133448316
ethyl 3-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzoate
CID 103357703
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
CID 133448811
ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate (CID 133410698) is ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1N1CCC(C)(O)C1.
What is the InChIKey of ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate?
The InChIKey is DQUMMKVCHGEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-23-17(21)14-10-19-15-6-5-12(2)9-13(15)16(14)20-8-7-18(3,22)11-20/h5-6,9-10,22H,4,7-8,11H2,1-3H3.
What are the key properties of ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate?
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 133410698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).