3-[(1-Pyridin-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]propanoic Acid - CAS 610258-80-5
Catalog: |
BB058384 |
Product Name: |
3-[(1-Pyridin-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl]propanoic Acid |
CAS: |
610258-80-5 |
Synonyms: |
3,4-Dihydro-1-(4-pyridinyl)-2(1H)-isoquinolinepropanoic Acid |
IUPAC Name: | 3-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid |
Description: | 3-(1-Pyridin-4-yl-3,4-dihydroisoquinolin-2(1H)-yl)propanoic Acid (cas# 610258-80-5) is a useful research chemical. |
Molecular Weight: | 282.34 |
Molecular Formula: | C17H18N2O2 |
Canonical SMILES: | C1CN(C(C2=CC=CC=C21)C3=CC=NC=C3)CCC(=O)O |
InChI: | InChI=1S/C17H18N2O2/c20-16(21)8-12-19-11-7-13-3-1-2-4-15(13)17(19)14-5-9-18-10-6-14/h1-6,9-10,17H,7-8,11-12H2,(H,20,21) |
InChI Key: | UZNOTGVPJYCZSU-UHFFFAOYSA-N |
Solubility: | >42.4 ug/ml |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 53.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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