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Chemical ID: 6495403
Chemical ID:
6495403
Name [?]:
2-methyl-3-[3-(2-methyl-4-oxo-quinazolin-3-yl)propyl]quinazolin-4-one
SMILES [?]:
Cc1nc2ccccc2c(=O)n1CCCn3c(nc4ccccc4c3=O)C
InChi [?]:
InChI=1/C21H20N4O2/c1-14-22-18-10-5-3-8-16(18)20(26)24(14)12-7-13-25-15(2)23-19-11-6-4-9-17(19)21(25)27/h3-6,8-11H,7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,7,22,6,21,14,8,23,5,20,13,15,2,17,9,24,4,19,10,25,3,18,12,16,11,26/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27nCCNCCCCCCCONCCCNCNCCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;s16s24;d25;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8298 |
Area: | 559.142 |
Solvation: | -3.14874 |
Coulombic: | -44.4133 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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