5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid

C16H16N2O3 — CID 168691392

IUPAC5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c19-15-9-13(16(20)21)10-18(15)7-5-11-3-4-14-12(8-11)2-1-6-17-14/h1-4,6,8,13H,5,7,9-10H2,(H,20,21)
InChIKeyXHBDKDZGDAHUKR-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.71
Rot. Bonds4

About 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 168691392) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
PubChem CID168691392
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c19-15-9-13(16(20)21)10-18(15)7-5-11-3-4-14-12(8-11)2-1-6-17-14/h1-4,6,8,13H,5,7,9-10H2,(H,20,21)
InChIKeyXHBDKDZGDAHUKR-UHFFFAOYSA-N
XLogP1.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168508323
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
methyl 5-oxo-1-(2-quinolin-3-ylethyl)pyrrolidine-3-carboxylate
CID 168694192
1-[2-(4-naphthalen-2-yloxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683236
(3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94032947
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
1-[2-[4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686397
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid (CID 168691392) is 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCc2ccc3ncccc3c2)C1.
What is the InChIKey of 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XHBDKDZGDAHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-9-13(16(20)21)10-18(15)7-5-11-3-4-14-12(8-11)2-1-6-17-14/h1-4,6,8,13H,5,7,9-10H2,(H,20,21).
What are the key properties of 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).