Chemical ID: 7434662

Cc1ccc2c(c1)cc(c(=O)n2CC(C)C)C=O
Chemical ID:
7434662
Name [?]:
1-isobutyl-6-methyl-2-oxo-quinoline-3-carbaldehyde
SMILES [?]:
Cc1ccc2c(c1)cc(c(=O)n2CC(C)C)C=O
InChi [?]:
InChI=1/C15H17NO2/c1-10(2)8-16-14-5-4-11(3)6-12(14)7-13(9-17)15(16)18/h4-7,9-10H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:15,16,1,3,4,7,8,13,17,14,2,6,9,5,10,12,18,11/E:(1,2)/rA:18nCCCCCCCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s12;s13;s14;s14;s9;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:35
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.58503
Area:416.967
Solvation:-3.83914
Coulombic:-23.2721
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.51
LogP (Chemaxon):3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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