Chemical ID: 4405938

CCOC(=O)c1cnc2c(cccc2c1NCCO)C
Chemical ID:
4405938
Name [?]:
ethyl 4-(2-hydroxyethylamino)-8-methyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cccc2c1NCCO)C
InChi [?]:
InChI=1/C15H18N2O3/c1-3-20-15(19)12-9-17-13-10(2)5-4-6-11(13)14(12)16-7-8-18/h4-6,9,18H,3,7-8H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,2,12,11,13,17,18,7,10,14,6,9,15,4,16,8,19,5,3/rA:20nCCOCOCCNCCCCCCCNCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.15766
Area:463.575
Solvation:-4.43173
Coulombic:-51.2971
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.315
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.08
LogP (Chemaxon):2.27

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Descriptor Annotations

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