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1187169-92-1 | 3-(4-Propoxybenzoyl)quinoline
CAS No: 1187169-92-1 Catalog No: AG01FF57 MDL No:
Product Description
Catalog Number:
AG01FF57
Chemical Name:
3-(4-Propoxybenzoyl)quinoline
CAS Number:
1187169-92-1
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
(4-propoxyphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C19H17NO2/c1-2-11-22-17-9-7-14(8-10-17)19(21)16-12-15-5-3-4-6-18(15)20-13-16/h3-10,12-13H,2,11H2,1H3
InChI Key:
QQVKXYIWLFOYQZ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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