2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid

C15H16N2O3 — CID 103534285

IUPAC2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)c3ccccc3n2)C1
InChIInChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-12(15(18)19)11-4-2-3-5-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyHESLAMGIJHIYJG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid

2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 103534285) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
PubChem CID103534285
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
SMILESCOC1CCN(c2cc(C(=O)O)c3ccccc3n2)C1
InChIInChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-12(15(18)19)11-4-2-3-5-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)
InChIKeyHESLAMGIJHIYJG-UHFFFAOYSA-N
XLogP2.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
CID 103534309
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460
2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methylquinoline-4-carbonitrile
CID 156650909
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 56875818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid (CID 103534285) is 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid is COC1CCN(c2cc(C(=O)O)c3ccccc3n2)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is HESLAMGIJHIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-10-6-7-17(9-10)14-8-12(15(18)19)11-4-2-3-5-13(11)16-14/h2-5,8,10H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid?
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 103534285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).