Chemical ID: 5742268

CCc1ccc2c(c1)c(cc(n2)c3ccc(cc3)Cl)C(=O)Nc4c(cccc4C)C
Chemical ID:
5742268
Name [?]:
2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-6-ethyl-quinoline-4-carboxamide
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccc(cc3)Cl)C(=O)Nc4c(cccc4C)C
InChi [?]:
InChI=1/C26H23ClN2O/c1-4-18-8-13-23-21(14-18)22(15-24(28-23)19-9-11-20(27)12-10-19)26(30)29-25-16(2)6-5-7-17(25)3/h5-15H,4H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,30,2,26,27,25,4,14,18,15,17,5,8,10,28,24,3,13,16,7,9,6,11,23,20,19,12,22,21/E:(2,3)(6,7)(9,10)(11,12)(16,17)/rA:30nCCCCCCCCCCCNCCCCCCClCONCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23ClN2O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.8291
Area:650.863
Solvation:-2.44247
Coulombic:-30.0659
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.926
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.1
LogP (Chemaxon):6.29

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Descriptor Annotations

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