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Chemical ID: 4156782
Chemical ID:
4156782
Name [?]:
ethyl 4-(2-hydroxypropylamino)-6-methoxy-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1NCC(C)O)OC
InChi [?]:
InChI=1/C16H20N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,22,2,11,10,13,17,7,18,12,14,6,9,15,4,8,16,20,5,21,3/rA:22cCCOCOCCNCCCCCCCNCCCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s18;s12;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.1184 |
Area: | 505.857 |
Solvation: | -5.52804 |
Coulombic: | -57.702 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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