Chemical ID: 5653715

c1ccc(cc1)c2nc3ccccc3c(n2)Nc4cccc(c4)N(=O)=O
Chemical ID:
5653715
Name [?]:
N-(3-nitrophenyl)-2-phenyl-quinazolin-4-amine
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(n2)Nc4cccc(c4)N(=O)=O
InChi [?]:
InChI=1/C20H14N4O2/c25-24(26)16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,20,3,5,19,21,13,10,23,4,18,22,14,9,7,15,17,8,16,24,25,26/E:(2,3)(7,8)(25,26)/CRV:24.5/rA:26nCCCCCCCNCCCCCCCNNCCCCCCNOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s11;d12;s9s13;d14;d7s15;s15;s17;s18;d19;s20;d21;d18s22;s22;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.67446
Area:538.679
Solvation:-6.79253
Coulombic:-38.0171
Bond Count [?]
All:29
Single:16
Double:13
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.351
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):5.26

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