(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid

C23H20N2O5 — CID 69085209

IUPAC(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid
SMILESC=Cc1ccc2nc(-c3ccccc3)cc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)c2c1
InChIInChI=1S/C23H20N2O5/c1-2-14-8-9-18-17(10-14)21(12-19(24-18)15-6-4-3-5-7-15)30-16-11-20(22(26)27)25(13-16)23(28)29/h2-10,12,16,20H,1,11,13H2,(H,26,27)(H,28,29)/t16-,20+/m1/s1
InChIKeyKRIZGSMVHMYDDH-UZLBHIALSA-N
MW404.42 g/mol
LogP4.13
Rot. Bonds5

About (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid

(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 69085209) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid
PubChem CID69085209
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid
SMILESC=Cc1ccc2nc(-c3ccccc3)cc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)c2c1
InChIInChI=1S/C23H20N2O5/c1-2-14-8-9-18-17(10-14)21(12-19(24-18)15-6-4-3-5-7-15)30-16-11-20(22(26)27)25(13-16)23(28)29/h2-10,12,16,20H,1,11,13H2,(H,26,27)(H,28,29)/t16-,20+/m1/s1
InChIKeyKRIZGSMVHMYDDH-UZLBHIALSA-N
XLogP4.13
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66973235
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 58021869
(2S,4R)-4-(7-methyl-2-phenylquinolin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 59044925
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
(2S,4R)-1-[(2R)-2-[2-(2,2-dimethylpent-4-enoxy)-2-oxoethyl]non-8-enoyl]-4-(6-ethenyl-7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 149220259
(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 118383737
1-[3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 123817611
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(8-ethenylphenanthridin-6-yl)oxypyrrolidine-1,2-dicarboxylate
CID 59408866
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid (CID 69085209) is (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid is C=Cc1ccc2nc(-c3ccccc3)cc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)c2c1.
What is the InChIKey of (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is KRIZGSMVHMYDDH-UZLBHIALSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-2-14-8-9-18-17(10-14)21(12-19(24-18)15-6-4-3-5-7-15)30-16-11-20(22(26)27)25(13-16)23(28)29/h2-10,12,16,20H,1,11,13H2,(H,26,27)(H,28,29)/t16-,20+/m1/s1.
What are the key properties of (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid?
(2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 404.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(6-ethenyl-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 69085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).