Chemical ID: 6849148

CCOC(=O)c1c[nH+]c2ccc(cc2c1NCCCCCO)C(=O)OC
Chemical ID:
6849148
Name [?]:
ethyl methyl 4-(5-hydroxypentylamino)-1H-quinoline-3,6-dicarboxylate
SMILES [?]:
CCOC(=O)c1c[nH+]c2ccc(cc2c1NCCCCCO)C(=O)OC
InChi [?]:
InChI=1/C19H24N2O5/c1-3-26-19(24)15-12-21-16-8-7-13(18(23)25-2)11-14(16)17(15)20-9-5-4-6-10-22/h7-8,11-12,22H,3-6,9-10H2,1-2H3,(H,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,26,2,19,18,20,11,10,17,21,13,7,12,14,6,9,15,23,4,16,8,22,24,5,25,3/rA:26nCCOCOCCN+CCCCCCCNCCCCCOCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s20;s21;s12;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N2O5+
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-22.5807
Area:611.095
Solvation:-37.858
Coulombic:-54.5684
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:361.412
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.86
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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