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Chemical ID: 6336689

Cc1c(c2ccccc2nc1c3ccccc3)C(=O)NC(C)c4ccccc4

Chemical ID:

6336689

Name [?]:

3-methyl-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide

SMILES [?]:

Cc1c(c2ccccc2nc1c3ccccc3)C(=O)NC(C)c4ccccc4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,26,15,25,27,14,16,6,7,24,28,13,17,5,8,2,21,23,12,4,9,3,11,18,20,10,19/E:(5,6)(7,8)(11,12)(13,14)/rA:28cCCCCCCCCCNCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s3;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:	12.4677
Area:	589.906
Solvation:	-2.27999
Coulombic:	-31.9415

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:	6.02
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