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599150-20-6 | 2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphe nyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin
CAS No: 599150-20-6 Catalog No: AG00ELVH MDL No:MFCD03312466
Product Description
Catalog Number:
AG00ELVH
Chemical Name:
2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphe nyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin
CAS Number:
599150-20-6
Molecular Formula:
C27H29NO6
Molecular Weight:
463.5223
MDL Number:
MFCD03312466
IUPAC Name:
2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C27H29NO6/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3
InChI Key:
ZXSWZQSYZYMZKS-UHFFFAOYSA-N
SMILES:
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1ccccc1OC
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.199g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.53g/mol
Monoisotopic Mass:
463.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Modulators of the hedgehog signaling pathway. | Bioorganic & medicinal chemistry 20100915 |
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