Chemical ID: 6146566

CCOC(=O)c1cnc2c(cc(cc2c1NCc3cccnc3)C)C
Chemical ID:
6146566
Name [?]:
ethyl 6,8-dimethyl-4-(3-pyridylmethylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cc(cc2c1NCc3cccnc3)C)C
InChi [?]:
InChI=1/C20H21N3O2/c1-4-25-20(24)17-12-23-18-14(3)8-13(2)9-16(18)19(17)22-11-15-6-5-7-21-10-15/h5-10,12H,4,11H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,20,19,21,11,13,23,17,7,12,10,18,14,6,9,15,4,22,16,8,5,3/rA:25nCCOCOCCNCCCCCCCNCCCCCNCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s12;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4375
Area:548.841
Solvation:-3.28358
Coulombic:-40.7026
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.4
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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