Chemical ID: 5259385

c1ccc(cc1)c2cc(nc(n2)O)Cc3ccc4ccccc4n3
Chemical ID:
5259385
Name [?]:
4-phenyl-6-(2-quinolylmethyl)pyrimidin-2-ol
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)O)Cc3ccc4ccccc4n3
InChi [?]:
InChI=1/C20H15N3O/c24-20-22-17(13-19(23-20)14-6-2-1-3-7-14)12-16-11-10-15-8-4-5-9-18(15)21-16/h1-11,13H,12H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,17,16,14,8,4,18,15,9,23,7,11,24,10,12,13/E:(2,3)(6,7)/rA:24nCCCCCCCCCNCNOCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s9;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.95501
Area:524.498
Solvation:-3.15743
Coulombic:-36.3006
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:313.353
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.12
LogP (Chemaxon):4.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue