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Chemical ID: 4205488
Chemical ID:
4205488
Name [?]:
3-(3-hydroxyphenyl)-2-(p-tolyl)quinazolin-4-one
SMILES [?]:
Cc1ccc(cc1)c2nc3ccccc3c(=O)n2c4cccc(c4)O
InChi [?]:
InChI=1/C21H16N2O2/c1-14-9-11-15(12-10-14)20-22-19-8-3-2-7-18(19)21(25)23(20)16-5-4-6-17(24)13-16/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,21,20,22,14,11,3,7,4,6,24,2,5,19,23,15,10,8,16,9,18,25,17/E:(9,10)(11,12)/rA:25nCCCCCCCCNCCCCCCCONCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97737 |
Area: | 505.32 |
Solvation: | -2.65563 |
Coulombic: | -41.3771 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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