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Chemical ID: 4692818
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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