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Chemical ID: 4346830
Chemical ID:
4346830
Name [?]:
N-(1-methylbutyl)-2-phenyl-quinoline-4-carboxamide
SMILES [?]:
CCCC(C)NC(=O)c1cc(nc2c1cccc2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O/c1-3-9-15(2)22-21(24)18-14-20(16-10-5-4-6-11-16)23-19-13-8-7-12-17(18)19/h4-8,10-15H,3,9H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,22,21,23,16,17,3,20,24,15,18,10,4,19,14,9,13,11,7,6,12,8/E:(5,6)(10,11)/rA:24cCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7203 |
Area: | 548.428 |
Solvation: | -1.99041 |
Coulombic: | -30.7151 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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