ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7519740

Chemical ID:

7519740

Name [?]:

6-bromo-2-(4-pyridyl)quinoline-4-carboxamide

SMILES [?]:

c1cc2c(cc1Br)c(cc(n2)c3ccncc3)C(=O)N

InChi [?]:

InChI=1/C15H10BrN3O/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9/h1-8H,(H2,17,20)

InChi Info:

AuxInfo=1/1/N:1,2,13,17,14,16,5,9,12,6,4,8,3,10,18,7,20,15,11,19/E:(3,4)(5,6)/rA:20nCCCCCCBrCCCNCCCNCCCON/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s3d10;s10;s12;d13;s14;d15;d12s16;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀BrN₃O
All Atoms:	30
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.60934
Area:	458.721
Solvation:	-2.85867
Coulombic:	-35.7727

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.59
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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