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Home > Quinoline > 210890-81-6
210890-81-6 | 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, 2-methyl-8-quinolinyl ester, (2E)-
CAS No: 210890-81-6 Catalog No: AG002L1A MDL No:
Product Description
Catalog Number:
AG002L1A
Chemical Name:
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, 2-methyl-8-quinolinyl ester, (2E)-
CAS Number:
210890-81-6
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
IUPAC Name:
(2-methylquinolin-8-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C21H19NO4/c1-14-7-10-16-5-4-6-18(21(16)22-14)26-20(23)12-9-15-8-11-17(24-2)19(13-15)25-3/h4-13H,1-3H3/b12-9+
InChI Key:
CPHKRMYYWIZKOQ-FMIVXFBMSA-N
SMILES:
COc1cc(/C=C/C(=O)Oc2cccc3c2nc(C)cc3)ccc1OC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Exploring molecular shape analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors. | European journal of medicinal chemistry 20080101 |
| Styrylquinoline derivatives: a new class of potent HIV-1 integrase inhibitors that block HIV-1 replication in CEM cells. | Journal of medicinal chemistry 19980716 |
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