Chemical ID: 4586511

C=CCn1c2ccccc2c(c(c1=O)C(=O)NCc3ccncc3)O
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

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