Chemical ID: 4692811

COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)F
Chemical ID:
4692811
Name [?]:
N-(2,4-difluorophenyl)-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)F
InChi [?]:
InChI=1/C16H13F2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,20,4,7,12,19,5,21,16,6,3,8,14,23,22,11,13,15,2,9/rA:23nCOCCCCCCOCNCNCNCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5d13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13F2N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.64415
Area:477.425
Solvation:-6.29148
Coulombic:-42.2464
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.91
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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