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Chemical ID: 4586511
Chemical ID:
4586511
Name [?]:
1-allyl-4-hydroxy-2-oxo-N-(4-pyridylmethyl)quinoline-3-carboxamide
SMILES [?]:
C=CCn1c2ccccc2c(c(c1=O)C(=O)NCc3ccncc3)O
InChi [?]:
InChI=1/C19H17N3O3/c1-2-11-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-12-13-7-9-20-10-8-13/h2-10,23H,1,11-12H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,20,24,21,23,3,18,19,10,5,12,11,15,13,22,17,4,25,16,14/E:(7,8)(9,10)/rA:25nCCCNCCCCCCCCCOCONCCCCNCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s12;d13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72269 |
Area: | 543.912 |
Solvation: | -3.87512 |
Coulombic: | -60.0765 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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