Chemical ID: 7193658

CCCOc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
Chemical ID:
7193658
Name [?]:
2-(3-propoxyphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCOc1cccc(c1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO3/c1-2-10-23-14-7-5-6-13(11-14)18-12-16(19(21)22)15-8-3-4-9-17(15)20-18/h3-9,11-12H,2,10H2,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,17,7,8,6,15,18,3,10,12,9,5,14,13,19,11,21,20,22,23,4/E:(21,22)/rA:23nCCCOCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO3-
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.3091
Area:516.948
Solvation:-42.2328
Coulombic:-17.4027
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.335
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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