Chemical ID: 4692818

Cc1ccc(c(c1)C)Nc2c3cc(c(cc3ncn2)OC)OC
Chemical ID:
4692818
Name [?]:
N-(2,4-dimethylphenyl)-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
Cc1ccc(c(c1)C)Nc2c3cc(c(cc3ncn2)OC)OC
InChi [?]:
InChI=1/C18H19N3O2/c1-11-5-6-14(12(2)7-11)21-18-13-8-16(22-3)17(23-4)9-15(13)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,23,21,3,4,7,12,15,18,2,6,11,5,16,13,14,10,17,19,9,22,20/rA:23nCCCCCCCCNCCCCCCCNCNOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s14;s20;s13;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.58119
Area:504.765
Solvation:-5.03795
Coulombic:-35.509
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.362
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.69

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Descriptor Annotations

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