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Chemical ID: 4692819
Chemical ID:
4692819
Name [?]:
6,7-dimethoxy-N-(4-methoxy-2-methyl-phenyl)-quinazolin-4-amine
SMILES [?]:
Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)OC
InChi [?]:
InChI=1/C18H19N3O3/c1-11-7-12(22-2)5-6-14(11)21-18-13-8-16(23-3)17(24-4)9-15(13)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,22,20,5,6,3,11,14,17,2,4,10,7,15,12,13,9,16,18,8,23,21,19/rA:24nCCCCCCCNCCCCCCCNCNOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s13;s19;s12;s21;s4;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66444 |
Area: | 518.57 |
Solvation: | -6.29982 |
Coulombic: | -41.9515 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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