Chemical ID: 4888628

COc1cccc(c1O)c2nc3ccccc3c(n2)NCCO
Chemical ID:
4888628
Name [?]:
2-[4-(2-hydroxyethylamino)quinazolin-2-yl]-6-methoxy-phenol
SMILES [?]:
COc1cccc(c1O)c2nc3ccccc3c(n2)NCCO
InChi [?]:
InChI=1/C17H17N3O3/c1-23-14-8-4-6-12(15(14)22)17-19-13-7-3-2-5-11(13)16(20-17)18-9-10-21/h2-8,21-22H,9-10H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,14,5,16,6,13,4,21,22,17,7,12,3,8,18,10,20,11,19,23,9,2/rA:23nCOCCCCCCOCNCCCCCCCNNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;d11;s12;d13;s14;d15;s12s16;d17;d10s18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.2074
Area:507.303
Solvation:-5.47517
Coulombic:-63.8565
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.335
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.86
LogP (Chemaxon):2.65

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