methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate

C17H18N2O3 — CID 168694195

IUPACmethyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1
InChIInChI=1S/C17H18N2O3/c1-22-17(21)14-10-16(20)19(11-14)8-6-12-4-5-15-13(9-12)3-2-7-18-15/h2-5,7,9,14H,6,8,10-11H2,1H3
InChIKeyZHAXKDDHHKAUQS-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.80
Rot. Bonds4

About methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate (PubChem CID 168694195) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
PubChem CID168694195
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1
InChIInChI=1S/C17H18N2O3/c1-22-17(21)14-10-16(20)19(11-14)8-6-12-4-5-15-13(9-12)3-2-7-18-15/h2-5,7,9,14H,6,8,10-11H2,1H3
InChIKeyZHAXKDDHHKAUQS-UHFFFAOYSA-N
XLogP1.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
methyl 5-oxo-1-(2-quinolin-3-ylethyl)pyrrolidine-3-carboxylate
CID 168694192
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168508323
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183
methyl 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxylate
CID 168694180
methyl 1-[2-(1-benzothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694189
methyl 1-[2-(1,3-benzothiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694225

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate (CID 168694195) is methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1.
What is the InChIKey of methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate?
The InChIKey is ZHAXKDDHHKAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-17(21)14-10-16(20)19(11-14)8-6-12-4-5-15-13(9-12)3-2-7-18-15/h2-5,7,9,14H,6,8,10-11H2,1H3.
What are the key properties of methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168694195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).