Chemical ID: 6466417

CC(C)Cc1nc2cc(c(cc2c(n1)N3CCC(CC3)Cc4ccccc4)OC)OC
Chemical ID:
6466417
Name [?]:
4-(4-benzyl-1-piperidyl)-2-isobutyl-6,7-dimethoxy-quinazoline
SMILES [?]:
CC(C)Cc1nc2cc(c(cc2c(n1)N3CCC(CC3)Cc4ccccc4)OC)OC
InChi [?]:
InChI=1/C26H33N3O2/c1-18(2)14-25-27-22-17-24(31-4)23(30-3)16-21(22)26(28-25)29-12-10-20(11-13-29)15-19-8-6-5-7-9-19/h5-9,16-18,20H,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,31,25,24,26,23,27,17,19,16,20,4,21,11,8,2,22,18,12,7,10,9,5,13,6,14,15,28,30/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCNCCCCCCCNNCCCCCCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;d5s13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s10;s28;s9;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.4108
Area:651.799
Solvation:-4.88415
Coulombic:-33.9384
Bond Count [?]
All:34
Single:26
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.559
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.04
LogP (Chemaxon):6.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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