Chemical ID: 6849096

CCOC(=O)c1c[nH+]c2ccc(cc2c1NCCO)C
Chemical ID:
6849096
Name [?]:
ethyl 4-(2-hydroxyethylamino)-6-methyl-1H-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1c[nH+]c2ccc(cc2c1NCCO)C
InChi [?]:
InChI=1/C15H18N2O3/c1-3-20-15(19)12-9-17-13-5-4-10(2)8-11(13)14(12)16-6-7-18/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,17)/p+1
InChi Info:
AuxInfo=1/1/N:1,20,2,11,10,17,18,13,7,12,14,6,9,15,4,16,8,19,5,3/rA:20nCCOCOCCN+CCCCCCCNCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N2O3+
All Atoms:39
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-24.2109
Area:468.569
Solvation:-35.9251
Coulombic:-36.203
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.323
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.29
LogP (Chemaxon):2.27

Name Annotations

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Descriptor Annotations

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