Chemical ID: 6703917

CCOC(=O)c1cnc2c(cccc2c1NCc3ccc[nH+]c3)C
Chemical ID:
6703917
Name [?]:
ethyl 8-methyl-4-(1H-pyridin-5-ylmethylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cccc2c1NCc3ccc[nH+]c3)C
InChi [?]:
InChI=1/C19H19N3O2/c1-3-24-19(23)16-12-22-17-13(2)6-4-8-15(17)18(16)21-11-14-7-5-9-20-10-14/h4-10,12H,3,11H2,1-2H3,(H,21,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,24,2,12,20,11,19,13,21,23,17,7,10,18,14,6,9,15,4,22,16,8,5,3/rA:24nCCOCOCCNCCCCCCCNCCCCCN+CC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N3O2+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-20.9349
Area:526.963
Solvation:-34.109
Coulombic:-28.9602
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.18

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Descriptor Annotations

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