Chemical ID: 4109466

CCOC(=O)c1cnc2ccc(cc2c1NCCCO)OC
Chemical ID:
4109466
Name [?]:
ethyl 4-(3-hydroxypropylamino)-6-methoxy-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccc(cc2c1NCCCO)OC
InChi [?]:
InChI=1/C16H20N2O4/c1-3-22-16(20)13-10-18-14-6-5-11(21-2)9-12(14)15(13)17-7-4-8-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,11,10,17,19,13,7,12,14,6,9,15,4,16,8,20,5,21,3/rA:22nCCOCOCCNCCCCCCCNCCCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s12;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.93724
Area:520.323
Solvation:-5.07084
Coulombic:-58.571
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.341
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.34
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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