Chemical ID: 4155454

CCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OCC)C
Chemical ID:
4155454
Name [?]:
ethyl 2-methyl-4-(4-propoxycarbonylphenyl)amino-quinoline-6-carboxylate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)C(=O)OCC)C
InChi [?]:
InChI=1/C23H24N2O4/c1-4-12-29-22(26)16-6-9-18(10-7-16)25-21-13-15(3)24-20-11-8-17(14-19(20)21)23(27)28-5-2/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,27,8,12,22,9,11,23,3,15,20,16,7,21,10,19,18,14,5,24,17,13,6,25,26,4/E:(6,7)(9,10)/rA:29nCCCOCOCCCCCCNCCCNCCCCCCCOOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s21;d24;s24;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2645
Area:656.184
Solvation:-3.14006
Coulombic:-56.9244
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.73
LogP (Chemaxon):3.81

Name Annotations

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Descriptor Annotations

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