Chemical ID: 7391613

CC(C(=O)N1CCc2cc(c(cc2C1)OC)OC)Cl
Chemical ID:
7391613
Name [?]:
2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propan-1-one
SMILES [?]:
CC(C(=O)N1CCc2cc(c(cc2C1)OC)OC)Cl
InChi [?]:
InChI=1/C14H18ClNO3/c1-9(15)14(17)16-5-4-10-6-12(18-2)13(19-3)7-11(10)8-16/h6-7,9H,4-5,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,16,7,6,9,12,14,2,8,13,10,11,3,19,5,4,17,15/rA:19cCCCONCCCCCCCCCOCOCCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;s11;s15;s10;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO3
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.68371
Area:462.114
Solvation:-5.86915
Coulombic:-29.8441
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.75
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.5
LogP (Chemaxon):1.84

Name Annotations

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Descriptor Annotations

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