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Chemical ID: 7097000
Chemical ID:
7097000
Name [?]:
3-(cyclopentylaminomethyl)-6-methoxy-1H-quinolin-2-one
SMILES [?]:
COc1ccc2c(c1)cc(c(=O)[nH]2)CNC3CCCC3
InChi [?]:
InChI=1/C16H20N2O2/c1-20-14-6-7-15-11(9-14)8-12(16(19)18-15)10-17-13-4-2-3-5-13/h6-9,13,17H,2-5,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,4,5,9,8,14,7,10,16,3,6,11,15,13,12,2/E:(2,3)(4,5)/rA:20nCOCCCCCCCCCONCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s6s11;s10;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34945 |
Area: | 473.309 |
Solvation: | -3.48329 |
Coulombic: | -37.1192 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 272.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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