Chemical ID: 7200418

Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(c(c3)OC)OC
Chemical ID:
7200418
Name [?]:
2-(3,4-dimethoxyphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H17NO4/c1-11-5-4-6-13-14(19(21)22)10-15(20-18(11)13)12-7-8-16(23-2)17(9-12)24-3/h4-10H,1-3H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,24,22,4,3,5,16,17,20,10,2,15,6,11,9,18,19,7,12,8,13,14,23,21/E:(21,22)/rA:24nCCCCCCCNCCCCOO-CCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO4-
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-30.656
Area:507.663
Solvation:-43.3475
Coulombic:-23.868
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.335
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):3.7

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Descriptor Annotations

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