Chemical ID: 5248820

CC(=O)NC1CCCC(=Cc2ccnc3c2cc(cc3)OC)C1
Chemical ID:
5248820
Name [?]:
N-[3-[(6-methoxy-4-quinolyl)methylene]cyclohexyl]acetamide
SMILES [?]:
CC(=O)NC1CCCC(=Cc2ccnc3c2cc(cc3)OC)C1
InChi [?]:
InChI=1/C19H22N2O2/c1-13(22)21-16-5-3-4-14(11-16)10-15-8-9-20-19-7-6-17(23-2)12-18(15)19/h6-10,12,16H,3-5,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,7,8,6,19,20,12,13,10,23,17,2,9,11,5,18,16,15,14,4,3,21/rA:23cCCONCCCCCCCCCNCCCCCCOCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s18;s21;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.14905
Area:523.456
Solvation:-3.93734
Coulombic:-32.6733
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:310.39
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.14

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Descriptor Annotations

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