Chemical ID: 6849114

CCOC(=O)c1c[nH+]c2ccc(cc2c1NCCCO)OC
Chemical ID:
6849114
Name [?]:
ethyl 4-(3-hydroxypropylamino)-6-methoxy-1H-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1c[nH+]c2ccc(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)/p+1
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:22nCCOCOCCN+CCCCCCCNCCCOOC/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:C16H21N2O4+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-25.396
Area:520.317
Solvation:-38.4039
Coulombic:-40.9612
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:305.349
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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