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Chemical ID: 4847757
Chemical ID:
4847757
Name [?]:
N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILES [?]:
COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NC3CC3
InChi [?]:
InChI=1/C15H16N2O5/c1-21-10-5-8-9(6-11(10)22-2)17-15(20)12(13(8)18)14(19)16-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,16,19)(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,4,7,20,5,6,3,8,14,15,17,12,19,11,16,18,13,2,9/E:(3,4)/rA:22nCOCCCCCCOCNCOCCOCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5d14;s15;s14;d17;s17;s19;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02444 |
Area: | 495.203 |
Solvation: | -6.35563 |
Coulombic: | -69.8688 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.298 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.02 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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