Chemical ID: 4193455

CC1=C(C(C2=C(N1)CCCC2=O)c3coc4ccccc4c3=O)C(=O)OC
Chemical ID:
4193455
Name [?]:
methyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILES [?]:
CC1=C(C(C2=C(N1)CCCC2=O)c3coc4ccccc4c3=O)C(=O)OC
InChi [?]:
InChI=1/C21H19NO5/c1-11-17(21(25)26-2)18(19-14(22-11)7-5-8-15(19)23)13-10-27-16-9-4-3-6-12(16)20(13)24/h3-4,6,9-10,18,22H,5,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,18,9,20,8,10,17,14,2,21,13,6,11,16,3,4,5,22,24,7,12,23,25,26,15/rA:27cCCCCCCNCCCCOCCOCCCCCCCOCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s8;s9;s5s10;d11;s4;d13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;d22;s3;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.68333
Area:512.601
Solvation:-4.13168
Coulombic:-52.4494
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.379
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):1.12

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Descriptor Annotations

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