Chemical ID: 7462474

CC[NH+](CC)CCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
Chemical ID:
7462474
Name [?]:
diethyl-[3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)carbonylamino]propyl]ammonium
SMILES [?]:
CC[NH+](CC)CCCNC(=O)c1c(c2cc(c(cc2[nH]c1=O)OC)OC)O
InChi [?]:
InChI=1/C19H27N3O5/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,26,24,2,4,7,8,6,15,18,14,19,16,17,12,13,10,21,9,20,3,27,11,22,25,23/E:(1,2)(5,6)/rA:27nCCN+CCCCCNCOCCCCCCCCNCOOCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s17;s23;s16;s25;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N3O5+
All Atoms:55
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-21.8758
Area:620.167
Solvation:-37.38
Coulombic:-39.4696
Bond Count [?]
All:28
Single:22
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:378.443
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.53
LogP (Chemaxon):-1.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue