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Chemical ID: 7085845
Chemical ID:
7085845
Name [?]:
3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cc(c2c(c1)c(c(c(n2)c3ccccc3)C)C(=O)O)C
InChi [?]:
InChI=1/C19H17NO2/c1-11-9-12(2)17-15(10-11)16(19(21)22)13(3)18(20-17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,18,15,14,16,13,17,3,7,2,4,9,12,6,8,5,10,19,11,20,21/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCCCCCNCCCCCCCCOOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s9;s8;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0106 |
Area: | 482.004 |
Solvation: | -2.03953 |
Coulombic: | -35.0802 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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