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Chemical ID: 5129139
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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