(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid

C24H24N2O5 — CID 59441103

IUPAC(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(O[C@H]3C[C@H](NC(C)=O)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H24N2O5/c1-14(27)25-22-12-17(10-19(22)24(28)29)31-23-13-20(15-6-4-3-5-7-15)26-21-11-16(30-2)8-9-18(21)23/h3-9,11,13,17,19,22H,10,12H2,1-2H3,(H,25,27)(H,28,29)/t17-,19-,22+/m1/s1
InChIKeyHULWFQNWSQIPNB-JUXOCIIHSA-N
MW420.47 g/mol
LogP3.66
Rot. Bonds6

About (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid

(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid (PubChem CID 59441103) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
PubChem CID59441103
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(O[C@H]3C[C@H](NC(C)=O)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H24N2O5/c1-14(27)25-22-12-17(10-19(22)24(28)29)31-23-13-20(15-6-4-3-5-7-15)26-21-11-16(30-2)8-9-18(21)23/h3-9,11,13,17,19,22H,10,12H2,1-2H3,(H,25,27)(H,28,29)/t17-,19-,22+/m1/s1
InChIKeyHULWFQNWSQIPNB-JUXOCIIHSA-N
XLogP3.66
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 69315373
(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531
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
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
tert-butyl (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]pentanoate
CID 130227884
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889
(2S)-2-[[(1R,2R,4S)-2-[[(2R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]butanoic acid
CID 11308673
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;N-[4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 161235903

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid (CID 59441103) is (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid is COc1ccc2c(O[C@H]3C[C@H](NC(C)=O)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The InChIKey is HULWFQNWSQIPNB-JUXOCIIHSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14(27)25-22-12-17(10-19(22)24(28)29)31-23-13-20(15-6-4-3-5-7-15)26-21-11-16(30-2)8-9-18(21)23/h3-9,11,13,17,19,22H,10,12H2,1-2H3,(H,25,27)(H,28,29)/t17-,19-,22+/m1/s1.
What are the key properties of (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 59441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).