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1260640-88-7 | 4-Quinolinepropanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1260640-88-7 Catalog No: AG000QXM MDL No:MFCD12913828
Product Description
Catalog Number:
AG000QXM
Chemical Name:
4-Quinolinepropanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1260640-88-7
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
MDL Number:
MFCD12913828
IUPAC Name:
3-oxo-3-phenylmethoxy-2-(quinolin-4-ylmethyl)propanoic acid
InChI:
InChI=1S/C20H17NO4/c22-19(23)17(20(24)25-13-14-6-2-1-3-7-14)12-15-10-11-21-18-9-5-4-8-16(15)18/h1-11,17H,12-13H2,(H,22,23)
InChI Key:
BOBHRHQCEKNERT-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1ccnc2c1cccc2)OCc1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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