Chemical ID: 7097000

COc1ccc2c(c1)cc(c(=O)[nH]2)CNC3CCCC3
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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