Chemical ID: 6703334

CC[NH+]1CCN(CC1)c2cc(c3ccccc3n2)c4ccccc4
Chemical ID:
6703334
Name [?]:
2-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-4-phenyl-quinoline
SMILES [?]:
CC[NH+]1CCN(CC1)c2cc(c3ccccc3n2)c4ccccc4
InChi [?]:
InChI=1/C21H23N3/c1-2-23-12-14-24(15-13-23)21-16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22-21/h3-11,16H,2,12-15H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,14,15,20,24,13,16,4,8,5,7,10,19,12,11,17,9,18,3,6/E:(4,5)(8,9)(12,13)(14,15)/rA:24nCCN+CCNCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s11;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N3+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-17.3794
Area:525.299
Solvation:-30.5118
Coulombic:13.1877
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):4.93

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Descriptor Annotations

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