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89109-09-1 | 1,8-Naphthyridin-2(1H)-one, 1-phenyl-3-(2-propynyl)-4-(2-propynyloxy)-
CAS No: 89109-09-1 Catalog No: AG003ZTO MDL No:
Product Description
Catalog Number:
AG003ZTO
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 1-phenyl-3-(2-propynyl)-4-(2-propynyloxy)-
CAS Number:
89109-09-1
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
1-phenyl-4-prop-2-ynoxy-3-prop-2-ynyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C20H14N2O2/c1-3-9-17-18(24-14-4-2)16-12-8-13-21-19(16)22(20(17)23)15-10-6-5-7-11-15/h1-2,5-8,10-13H,9,14H2
InChI Key:
YCLYWZWUFUUULQ-UHFFFAOYSA-N
SMILES:
C#CCc1c(OCC#C)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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