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Chemical ID: 6330532
Chemical ID:
6330532
Name [?]:
2-(5-heptyl-2-furyl)-6-methyl-quinoline-4-carboxylic acid
SMILES [?]:
CCCCCCCc1ccc(o1)c2cc(c3cc(ccc3n2)C)C(=O)O
InChi [?]:
InChI=1/C22H25NO3/c1-3-4-5-6-7-8-16-10-12-21(26-16)20-14-18(22(24)25)17-13-15(2)9-11-19(17)23-20/h9-14H,3-8H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,5,6,7,19,9,20,10,17,14,18,8,16,15,21,13,11,24,22,25,26,12/E:(24,25)/rA:26nCCCCCCCCCCCOCCCCCCCCCNCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s18;s15;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9296 |
Area: | 611.283 |
Solvation: | -2.35246 |
Coulombic: | -43.1442 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.24 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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