Chemical ID: 7096956

CCOc1ccc2c(c1)cc(c(=O)[nH]2)CNCc3ccccc3
Chemical ID:
7096956
Name [?]:
3-(benzylaminomethyl)-6-ethoxy-1H-quinolin-2-one
SMILES [?]:
CCOc1ccc2c(c1)cc(c(=O)[nH]2)CNCc3ccccc3
InChi [?]:
InChI=1/C19H20N2O2/c1-2-23-17-8-9-18-15(11-17)10-16(19(22)21-18)13-20-12-14-6-4-3-5-7-14/h3-11,20H,2,12-13H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,23,5,6,10,9,17,15,18,8,11,4,7,12,16,14,13,3/E:(4,5)(6,7)/rA:23nCCOCCCCCCCCCONCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s11;d12;s7s12;s11;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.57023
Area:538.033
Solvation:-3.88059
Coulombic:-38.4206
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.374
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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