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Chemical ID: 5689489

CCOC(=O)c1cnc2c(c1N3CC[NH+](CC3)C)ccc(c2Cl)Cl

Chemical ID:

5689489

Name [?]:

ethyl 7,8-dichloro-4-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-quinoline-3-carboxylate

SMILES [?]:

CCOC(=O)c1cnc2c(c1N3CC[NH+](CC3)C)ccc(c2Cl)Cl

InChi [?]:

InChI=1/C17H19Cl2N3O2/c1-3-24-17(23)12-10-20-15-11(4-5-13(18)14(15)19)16(12)22-8-6-21(2)7-9-22/h4-5,10H,3,6-9H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,18,2,19,20,14,16,13,17,7,10,6,21,22,9,11,4,24,23,8,15,12,5,3/E:(6,7)(8,9)/rA:24nCCOCOCCNCCCNCCN+CCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s12s16;s15;d10;s19;d20;d9s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀Cl₂N₃O₂₊
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.8973
Area:	542.431
Solvation:	-34.458
Coulombic:	0.087958

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	369.265
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.58
LogP (Chemaxon):	3.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value