Chemical ID: 4156782

CCOC(=O)c1cnc2ccc(cc2c1NCC(C)O)OC
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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