Chemical ID: 4153613

Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(cc3)O
Chemical ID:
4153613
Name [?]:
4-[(6-methoxy-2-methyl-4-quinolyl)amino]phenol
SMILES [?]:
Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(cc3)O
InChi [?]:
InChI=1/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,16,20,17,19,8,9,3,6,2,15,18,7,5,10,4,11,14,21,12/E:(3,4)(5,6)/rA:21nCCCCCCCCCCNOCNCCCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;s4;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.05816
Area:471.403
Solvation:-3.72692
Coulombic:-39.2703
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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