(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid

C19H18N2O3S — CID 95185798

IUPAC(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
SMILESCOc1ccc2nc(-c3ccccc3)cc(SC[C@H](N)C(=O)O)c2c1
InChIInChI=1S/C19H18N2O3S/c1-24-13-7-8-16-14(9-13)18(25-11-15(20)19(22)23)10-17(21-16)12-5-3-2-4-6-12/h2-10,15H,11,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyRRMSUEYOXBNEGC-HNNXBMFYSA-N
MW354.43 g/mol
LogP3.41
Rot. Bonds6

About (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid

(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid (PubChem CID 95185798) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
PubChem CID95185798
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
SMILESCOc1ccc2nc(-c3ccccc3)cc(SC[C@H](N)C(=O)O)c2c1
InChIInChI=1S/C19H18N2O3S/c1-24-13-7-8-16-14(9-13)18(25-11-15(20)19(22)23)10-17(21-16)12-5-3-2-4-6-12/h2-10,15H,11,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyRRMSUEYOXBNEGC-HNNXBMFYSA-N
XLogP3.41
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid
CID 53334919
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339
4-[[1-carboxy-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylethyl]amino]-4-oxobutanoic acid
CID 22109432
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid
CID 42536978
2-amino-3-[[4-methoxy-2-(2-phenylphenyl)phenyl]methylsulfanyl]propanoic acid
CID 141263860
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132372
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
CID 3168483
propan-2-yl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
CID 864465
2-(2-phenylquinolin-4-yl)sulfanylacetic acid;hydrochloride
CID 53423158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid (CID 95185798) is (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid is COc1ccc2nc(-c3ccccc3)cc(SC[C@H](N)C(=O)O)c2c1.
What is the InChIKey of (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid?
The InChIKey is RRMSUEYOXBNEGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-13-7-8-16-14(9-13)18(25-11-15(20)19(22)23)10-17(21-16)12-5-3-2-4-6-12/h2-10,15H,11,20H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid?
(2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid has a molecular weight of 354.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(6-methoxy-2-phenylquinolin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 95185798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).