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Chemical ID: 6817064

Cc1ccc(cc1)CNC(=O)c2cc(nc3c2cccc3)Nc4ccccc4

Chemical ID:

6817064

Name [?]:

2-anilino-N-(p-tolylmethyl)quinoline-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)c2cc(nc3c2cccc3)Nc4ccccc4

InChi [?]:

InChI=1/C24H21N3O/c1-17-11-13-18(14-12-17)16-25-24(28)21-15-23(26-19-7-3-2-4-8-19)27-22-10-6-5-9-20(21)22/h2-15H,16H2,1H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,19,20,24,28,18,21,3,7,4,6,13,8,2,5,23,17,12,16,14,10,9,22,15,11/E:(3,4)(7,8)(11,12)(13,14)/rA:28nCCCCCCCCNCOCCCNCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s14;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O
All Atoms:	49
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5455
Area:	605.099
Solvation:	-2.58198
Coulombic:	-41.6485

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	367.443
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.62
LogP (Chemaxon):	5.23

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

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Chemical Mix	Source	External ID	Descriptor	Value