Chemical ID: 6963268

c1ccc2c(c1)CCCN2C(=O)CCCCCCCC(=O)N3CCCc4c3cccc4
Chemical ID:
6963268
Name [?]:
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
SMILES [?]:
c1ccc2c(c1)CCCN2C(=O)CCCCCCCC(=O)N3CCCc4c3cccc4
InChi [?]:
InChI=1/C27H34N2O2/c30-26(28-20-10-14-22-12-6-8-16-24(22)28)18-4-2-1-3-5-19-27(31)29-21-11-15-23-13-7-9-17-25(23)29/h6-9,12-13,16-17H,1-5,10-11,14-15,18-21H2
InChi Info:
AuxInfo=1/0/N:16,15,17,14,18,1,30,2,29,8,24,6,31,7,25,3,28,13,19,9,23,5,26,4,27,11,20,10,22,12,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/rA:31nCCCCCCCCCNCOCCCCCCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s22s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O2
All Atoms:65
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4247
Area:683.193
Solvation:-3.65515
Coulombic:-32.9309
Bond Count [?]
All:34
Single:26
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.571
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.12
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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