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860789-35-1 | 4-{6,8-dimethoxy-4-methyl-1H,2H,3H-pyrrolo[3,2-c]quinolin-1-yl}phenol
CAS No: 860789-35-1 Catalog No: AG00IO4C MDL No:MFCD03787517
Product Description
Catalog Number:
AG00IO4C
Chemical Name:
4-{6,8-dimethoxy-4-methyl-1H,2H,3H-pyrrolo[3,2-c]quinolin-1-yl}phenol
CAS Number:
860789-35-1
Molecular Formula:
C20H20N2O3
Molecular Weight:
336.3844
MDL Number:
MFCD03787517
IUPAC Name:
4-(6,8-dimethoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenol
InChI:
InChI=1S/C20H20N2O3/c1-12-16-8-9-22(13-4-6-14(23)7-5-13)20(16)17-10-15(24-2)11-18(25-3)19(17)21-12/h4-7,10-11,23H,8-9H2,1-3H3
InChI Key:
NPQZNMPPUASIAY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)c1N(CCc1c(n2)C)c1ccc(cc1)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.391g/mol
Monoisotopic Mass:
336.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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