Chemical ID: 4567030

COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCCN3CCCCC3
Chemical ID:
4567030
Name [?]:
4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(1-piperidyl)propyl]-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCCN3CCCCC3
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)
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:28nCOCCCCCCOCNCOCCOCONCCCNCCCCC/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:C20H27N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.63664
Area:621.254
Solvation:-6.8947
Coulombic:-74.9987
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.446
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.55
LogP (Chemaxon):-1.23

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Descriptor Annotations

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