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Chemical ID: 7974512
Chemical ID:
7974512
Name [?]:
(6-ethyl-2-morpholino-3-quinolyl)methanamine
SMILES [?]:
CCc1ccc2c(c1)cc(c(n2)N3CCOCC3)CN
InChi [?]:
InChI=1/C16H21N3O/c1-2-12-3-4-15-13(9-12)10-14(11-17)16(18-15)19-5-7-20-8-6-19/h3-4,9-10H,2,5-8,11,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,5,14,18,15,17,8,9,19,3,7,10,6,11,20,12,13,16/E:(5,6)(7,8)/rA:20nCCCCCCCCCCCNNCCOCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;s14;s15;s16;s13s17;s10;s19;/rC:-.2068,1.8566,-.2782;-.1247,.3435,-.0672;-1.5156,-.2359,-.0389;-2.1965,-.3301,1.1726;-3.4538,-.8485,1.2325;-4.0802,-1.297,.0571;-3.3862,-1.1998,-1.1736;-2.0927,-.6556,-1.199;-4.0141,-1.6495,-2.353;-5.2725,-2.1629,-2.259;-5.9072,-2.2324,-1.0107;-5.3153,-1.8101,.0878;-7.1883,-2.7575,-.9306;-7.121,-3.895,-.0037;-8.5324,-4.4175,.2677;-9.3066,-3.4039,.9085;-9.4122,-2.313,-.006;-8.0234,-1.7364,-.2845;-5.9813,-2.6548,-3.4946;-6.98,-1.6626,-3.914;
Chemical Details
Atom Count
Formula: | C16H21N3O |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65948 |
Area: | 460.977 |
Solvation: | -2.86494 |
Coulombic: | -33.7194 |
Bond Count [?]
All: | 43 |
Single: | 38 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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