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88328-43-2 | Urea, N-phenyl-N'-[5-(1H-pyrrol-1-yl)-6-quinolinyl]-
CAS No: 88328-43-2 Catalog No: AG0089SW MDL No:
Product Description
Catalog Number:
AG0089SW
Chemical Name:
Urea, N-phenyl-N'-[5-(1H-pyrrol-1-yl)-6-quinolinyl]-
CAS Number:
88328-43-2
Molecular Formula:
C20H16N4O
Molecular Weight:
328.3672
IUPAC Name:
1-phenyl-3-(5-pyrrol-1-ylquinolin-6-yl)urea
InChI:
InChI=1S/C20H16N4O/c25-20(22-15-7-2-1-3-8-15)23-18-11-10-17-16(9-6-12-21-17)19(18)24-13-4-5-14-24/h1-14H,(H2,22,23,25)
InChI Key:
WZVUZEOWDSVJLR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1n1cccc1)cccn2)Nc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.375g/mol
Monoisotopic Mass:
328.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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