Chemical ID: 4121692

COc1ccc2c(c1)cc(c(=O)[nH]2)CNCc3ccccc3
Chemical ID:
4121692
Name [?]:
3-(benzylaminomethyl)-6-methoxy-1H-quinolin-2-one
SMILES [?]:
COc1ccc2c(c1)cc(c(=O)[nH]2)CNCc3ccccc3
InChi [?]:
InChI=1/C18H18N2O2/c1-22-16-7-8-17-14(10-16)9-15(18(21)20-17)12-19-11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,5,9,8,16,14,17,7,10,3,6,11,15,13,12,2/E:(3,4)(5,6)/rA:22nCOCCCCCCCCCONCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s6s11;s10;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.77581
Area:510.297
Solvation:-3.98161
Coulombic:-38.1586
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.3
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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