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Chemical ID: 4432095

Cc1cccc(c1)c2cc(c3ccccc3n2)C(=O)NC(C)c4ccccc4

Chemical ID:

4432095

Name [?]:

2-(m-tolyl)-N-(1-phenylethyl)quinoline-4-carboxamide

SMILES [?]:

Cc1cccc(c1)c2cc(c3ccccc3n2)C(=O)NC(C)c4ccccc4

InChi [?]:

InChI=1/C25H22N2O/c1-17-9-8-12-20(15-17)24-16-22(21-13-6-7-14-23(21)27-24)25(28)26-18(2)19-10-4-3-5-11-19/h3-16,18H,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,22,26,25,27,13,14,4,3,24,28,5,12,15,7,9,2,21,23,6,11,10,16,8,18,20,17,19/E:(4,5)(10,11)/rA:28cCCCCCCCCCCCCCCCCNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s10;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5913
Area:	598.872
Solvation:	-2.3805
Coulombic:	-31.5277

Bond Count [?]

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

Chemical Properties

Molecular Weight:	366.455
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.23
LogP (Chemaxon):	5.77

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