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Home > Quinoline > 866132-01-6
866132-01-6 | N-[(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS No: 866132-01-6 Catalog No: AG00IQQF MDL No:MFCD03305757
Product Description
Catalog Number:
AG00IQQF
Chemical Name:
N-[(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS Number:
866132-01-6
Molecular Formula:
C18H19ClN2O2
Molecular Weight:
330.8087
MDL Number:
MFCD03305757
IUPAC Name:
N-[(3-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C18H19ClN2O2/c1-23-17-7-6-13(10-16(17)19)11-20-18(22)21-9-8-14-4-2-3-5-15(14)12-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChI Key:
IBMNHNQBSJRCFV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)CNC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.812g/mol
Monoisotopic Mass:
330.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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