Chemical ID: 4205488

Cc1ccc(cc1)c2nc3ccccc3c(=O)n2c4cccc(c4)O
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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