Chemical ID: 6834642

CCOC(=O)c1ccc2c(c1)c(cc([nH+]2)C)Nc3cccc(c3)C
Chemical ID:
6834642
Name [?]:
ethyl 2-methyl-4-(m-tolylamino)-1H-quinoline-6-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)c(cc([nH+]2)C)Nc3cccc(c3)C
InChi [?]:
InChI=1/C20H20N2O2/c1-4-24-20(23)15-8-9-18-17(12-15)19(11-14(3)21-18)22-16-7-5-6-13(2)10-16/h5-12H,4H2,1-3H3,(H,21,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,24,16,2,20,21,19,7,8,23,13,11,22,14,6,18,10,9,12,4,15,17,5,3/rA:24nCCOCOCCCCCCCCCN+CNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;d10;s12;d13;d9s14;s14;s12;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N2O2+
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-18.6463
Area:547.594
Solvation:-32.3362
Coulombic:-24.3839
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.393
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):3.92

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Descriptor Annotations

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