Chemical ID: 6834536

CC[NH+]1CCN(CC1)c2c3ccccc3nc(n2)c4ccccc4
Chemical ID:
6834536
Name [?]:
4-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-2-phenyl-quinazoline
SMILES [?]:
CC[NH+]1CCN(CC1)c2c3ccccc3nc(n2)c4ccccc4
InChi [?]:
InChI=1/C20H22N4/c1-2-23-12-14-24(15-13-23)20-17-10-6-7-11-18(17)21-19(22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,12,13,20,24,11,14,4,8,5,7,19,10,15,17,9,16,18,3,6/E:(4,5)(8,9)(12,13)(14,15)/rA:24nCCN+CCNCCCCCCCCCNCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N4+
All Atoms:47
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-18.261
Area:517.411
Solvation:-31.1963
Coulombic:7.8188
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):4.46

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Descriptor Annotations

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