Chemical ID: 4812694

CCCn1c2c(c(c(c1=O)C(=O)Nc3ccc(cc3)OCC)O)CCCC2
Chemical ID:
4812694
Name [?]:
N-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILES [?]:
CCCn1c2c(c(c(c1=O)C(=O)Nc3ccc(cc3)OCC)O)CCCC2
InChi [?]:
InChI=1/C21H26N2O4/c1-3-13-23-17-8-6-5-7-16(17)19(24)18(21(23)26)20(25)22-14-9-11-15(12-10-14)27-4-2/h9-12,24H,3-8,13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,25,26,24,27,15,19,16,18,3,14,17,6,5,8,7,11,9,13,4,23,12,10,20/E:(9,10)(11,12)/rA:27nCCCNCCCCCOCONCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s4s8;d9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s7;s6;s24;s25;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4509
Area:587.943
Solvation:-4.24773
Coulombic:-60.274
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.14
LogP (Chemaxon):3.3

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Descriptor Annotations

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