Chemical ID: 4622473

CCC1(C(C(=O)c2ccccc2N1)c3ccc(cc3)OCC)C
Chemical ID:
4622473
Name [?]:
3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1,3-dihydroquinolin-4-one
SMILES [?]:
CCC1(C(C(=O)c2ccccc2N1)c3ccc(cc3)OCC)C
InChi [?]:
InChI=1/C20H23NO2/c1-4-20(3)18(14-10-12-15(13-11-14)23-5-2)19(22)16-8-6-7-9-17(16)21-20/h6-13,18,21H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,21,9,10,8,11,15,19,16,18,14,17,7,12,4,5,3,13,6,20/E:(10,11)(12,13)/rA:23cCCCCCOCCCCCCNCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s3s12;s4;s14;d15;s16;d17;d14s18;s17;s20;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.3794
Area:501.126
Solvation:-3.14875
Coulombic:-29.7953
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.3

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Descriptor Annotations

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