Chemical ID: 6704268

CCC(=O)NC(c1ccco1)c2cc(c3ccc[nH+]c3c2O)Cl
Chemical ID:
6704268
Name [?]:
N-[(5-chloro-8-hydroxy-1H-quinolin-7-yl)-(2-furyl)methyl]propanamide
SMILES [?]:
CCC(=O)NC(c1ccco1)c2cc(c3ccc[nH+]c3c2O)Cl
InChi [?]:
InChI=1/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,17,9,16,8,18,10,13,15,12,14,7,3,6,20,21,23,19,5,4,22,11/rA:23cCCCONCCCCCOCCCCCCCN+CCOCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s6;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN2O3+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-20.9844
Area:516.456
Solvation:-33.8958
Coulombic:-37.2061
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.773
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.26
LogP (Chemaxon):2.74

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