Chemical ID: 5129139

CCN(CC)C1C(c2cc(ccc2NC1=O)Br)c3ccccc3
Chemical ID:
5129139
Name [?]:
6-bromo-3-diethylamino-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILES [?]:
CCN(CC)C1C(c2cc(ccc2NC1=O)Br)c3ccccc3
InChi [?]:
InChI=1/C19H21BrN2O/c1-3-22(4-2)18-17(13-8-6-5-7-9-13)15-12-14(20)10-11-16(15)21-19(18)23/h5-12,17-18H,3-4H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,20,22,19,23,11,12,9,18,10,8,13,7,6,15,17,14,3,16/E:(1,2)(3,4)(6,7)(8,9)/rA:23cCCNCCCCCCCCCCNCOBrCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;d15;s10;s7;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21BrN2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.7454
Area:503.057
Solvation:-1.83107
Coulombic:-29.1691
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.88
LogP (Chemaxon):4.51

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