4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid

C16H16N2O5 — CID 148566227

IUPAC4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(OCc2cccc3cccnc23)CN1C(=O)O
InChIInChI=1S/C16H16N2O5/c19-15(20)13-7-12(8-18(13)16(21)22)23-9-11-4-1-3-10-5-2-6-17-14(10)11/h1-6,12-13H,7-9H2,(H,19,20)(H,21,22)
InChIKeyMVZCRXMSNNRCOO-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.96
Rot. Bonds4

About 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid

4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 148566227) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid
PubChem CID148566227
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(OCc2cccc3cccnc23)CN1C(=O)O
InChIInChI=1S/C16H16N2O5/c19-15(20)13-7-12(8-18(13)16(21)22)23-9-11-4-1-3-10-5-2-6-17-14(10)11/h1-6,12-13H,7-9H2,(H,19,20)(H,21,22)
InChIKeyMVZCRXMSNNRCOO-UHFFFAOYSA-N
XLogP1.96
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 87787281
8-(cyclopentyloxymethyl)quinoline
CID 126674909
3-(quinolin-8-ylmethoxy)cyclopentan-1-amine
CID 79465899
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 43356945
(2S,4R)-4-prop-2-ynoxypyrrolidine-1,2-dicarboxylic acid
CID 118383825
4-methoxy-1-(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 120534404
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
4-(5-hydroxyisoquinolin-1-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 22250154
(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 151065309
cis-methyl (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(quinolin-8-ylmethoxy)pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
CID 59963732
4-(7-chloroisoquinolin-1-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 22250215

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid (CID 148566227) is 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid is O=C(O)C1CC(OCc2cccc3cccnc23)CN1C(=O)O.
What is the InChIKey of 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is MVZCRXMSNNRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-15(20)13-7-12(8-18(13)16(21)22)23-9-11-4-1-3-10-5-2-6-17-14(10)11/h1-6,12-13H,7-9H2,(H,19,20)(H,21,22).
What are the key properties of 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid?
4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 148566227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).