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Chemical ID: 6337835
Chemical ID:
6337835
Name [?]:
N-[(5-dimethylamino-2-furyl)methyleneamino]-2-methyl-quinoline-4-carboxamide
SMILES [?]:
Cc1cc(c2ccccc2n1)C(=O)NN=Cc3ccc(o3)N(C)C
InChi [?]:
InChI=1/C18H18N4O2/c1-12-10-15(14-6-4-5-7-16(14)20-12)18(23)21-19-11-13-8-9-17(24-13)22(2)3/h4-11H,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,7,8,6,9,18,19,3,16,2,17,5,4,10,20,12,15,11,14,22,13,21/E:(2,3)/rA:24nCCCCCCCCCCNCONNCCCCCONCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;d12;s12;s14;w15;s16;d17;s18;d19;s17s20;s20;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N4O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64071 |
Area: | 501.012 |
Solvation: | -3.8846 |
Coulombic: | -39.0995 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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