Chemical ID: 6200762

Cc1ccc(cc1)C2C(=C(N(C3=C2C(=O)CCC3)c4nc[nH]n4)N)C#N
Chemical ID:
6200762
Name [?]:
2-amino-5-oxo-4-(p-tolyl)-1-(1H-1,2,4-triazol-3-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES [?]:
Cc1ccc(cc1)C2C(=C(N(C3=C2C(=O)CCC3)c4nc[nH]n4)N)C#N
InChi [?]:
InChI=1/C19H18N6O/c1-11-5-7-12(8-6-11)16-13(9-20)18(21)25(19-22-10-23-24-19)14-3-2-4-15(26)17(14)16/h5-8,10,16H,2-4,21H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,3,7,4,6,25,21,2,5,9,12,14,8,13,10,19,26,24,20,22,23,11,15/E:(5,6)(7,8)/rA:26cCCCCCCCCCCNCCCOCCCCNCNNNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;s8d12;s13;d14;s14;s16;s12s17;s11;s19;d20;s21;d19s22;s10;s9;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N6O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.23936
Area:512.108
Solvation:-3.56334
Coulombic:-49.6467
Bond Count [?]
All:29
Single:20
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.386
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):2.59

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Descriptor Annotations

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