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Chemical ID: 6697391
Chemical ID:
6697391
Name [?]:
3-(4-ethoxyphenyl)-2-methyl-quinazolin-4-one
SMILES [?]:
CCOc1ccc(cc1)n2c(nc3ccccc3c2=O)C
InChi [?]:
InChI=1/C17H16N2O2/c1-3-21-14-10-8-13(9-11-14)19-12(2)18-16-7-5-4-6-15(16)17(19)20/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,16,15,17,14,6,8,5,9,11,7,4,18,13,19,12,10,20,3/E:(8,9)(10,11)/rA:21nCCOCCCCCCNCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78359 |
Area: | 469.767 |
Solvation: | -2.96059 |
Coulombic: | -29.9539 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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