Chemical ID: 7461647

COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCC[NH+]3CCCCC3
Chemical ID:
7461647
Name [?]:
4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propyl]-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCC[NH+]3CCCCC3
InChi [?]:
InChI=1/C20H27N3O5/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,26,25,27,21,20,24,28,22,4,7,5,6,3,8,14,15,17,12,19,11,23,16,18,13,2,9/E:(4,5)(8,9)/rA:28nCOCCCCCCOCNCOCCOCONCCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5d14;s15;s14;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N3O5+
All Atoms:56
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-21.8431
Area:621.121
Solvation:-37.3711
Coulombic:-39.6665
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:390.454
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.55
LogP (Chemaxon):-1.23

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Descriptor Annotations

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