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Chemical ID: 4153614
Chemical ID:
4153614
Name [?]:
6-methoxy-N-(2-methoxyphenyl)-2-methyl-quinolin-4-amine
SMILES [?]:
Cc1cc(c2cc(ccc2n1)OC)Nc3ccccc3OC
InChi [?]:
InChI=1/C18H18N2O2/c1-12-10-17(20-16-6-4-5-7-18(16)22-3)14-11-13(21-2)8-9-15(14)19-12/h4-11H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,22,17,18,16,19,8,9,3,6,2,7,5,10,15,4,20,11,14,12,21/rA:22nCCCCCCCCCCNOCNCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;s4;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95908 |
Area: | 491.418 |
Solvation: | -4.32638 |
Coulombic: | -31.1861 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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