Chemical ID: 6834554

Cc1cc(c2cc(ccc2[nH+]1)C(=O)OC)Nc3ccccc3
Chemical ID:
6834554
Name [?]:
methyl 4-anilino-2-methyl-1H-quinoline-6-carboxylate
SMILES [?]:
Cc1cc(c2cc(ccc2[nH+]1)C(=O)OC)Nc3ccccc3
InChi [?]:
InChI=1/C18H16N2O2/c1-12-10-17(20-14-6-4-3-5-7-14)15-11-13(18(21)22-2)8-9-16(15)19-12/h3-11H,1-2H3,(H,19,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,20,19,21,18,22,8,9,3,6,2,7,17,5,10,4,12,11,16,13,14/E:(4,5)(6,7)/rA:22nCCCCCCCCCCN+COOCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;d12;s12;s14;s4;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N2O2+
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-19.9989
Area:494.394
Solvation:-32.3587
Coulombic:-24.2195
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.34
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):3.11

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Descriptor Annotations

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