Chemical ID: 6749315

CC1=C(C(C2=C(N1)CCCC2=O)c3cc[nH+]cc3)C(=O)OC4CCCCC4
Chemical ID:
6749315
Name [?]:
cyclohexyl 2-methyl-5-oxo-4-(1H-pyridin-4-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILES [?]:
CC1=C(C(C2=C(N1)CCCC2=O)c3cc[nH+]cc3)C(=O)OC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27N2O3+
All Atoms:54
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:-19.6729
Area:525.312
Solvation:-32.8058
Coulombic:-31.4569
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):1.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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