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Home > Quinoline > 100926-72-5
100926-72-5 | Carbamic acid, (4-methoxyphenyl)-, 6-quinolinyl ester (9CI)
CAS No: 100926-72-5 Catalog No: AG000378 MDL No:
Product Description
Catalog Number:
AG000378
Chemical Name:
Carbamic acid, (4-methoxyphenyl)-, 6-quinolinyl ester (9CI)
CAS Number:
100926-72-5
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
quinolin-6-yl N-(4-methoxyphenyl)carbamate
InChI:
InChI=1S/C17H14N2O3/c1-21-14-6-4-13(5-7-14)19-17(20)22-15-8-9-16-12(11-15)3-2-10-18-16/h2-11H,1H3,(H,19,20)
InChI Key:
YRMZMQZKYPVMKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)Oc1ccc2c(c1)cccn2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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