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Chemical ID: 6807068

CC(C)c1ccc2c(c1)c(cc(n2)c3ccc(cc3)OC)C(=O)NC(C)c4ccccc4

Chemical ID:

6807068

Name [?]:

6-isopropyl-2-(4-methoxyphenyl)-N-(1-phenylethyl)quinoline-4-carboxamide

SMILES [?]:

CC(C)c1ccc2c(c1)c(cc(n2)c3ccc(cc3)OC)C(=O)NC(C)c4ccccc4

InChi [?]:

InChI=1/C28H28N2O2/c1-18(2)22-12-15-26-24(16-22)25(28(31)29-19(3)20-8-6-5-7-9-20)17-27(30-26)21-10-13-23(32-4)14-11-21/h5-19H,1-4H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,3,26,21,30,29,31,28,32,15,19,5,16,18,6,9,11,2,25,27,14,4,17,8,10,7,12,22,24,13,23,20/E:(1,2)(6,7)(8,9)(10,11)(13,14)/rA:32cCCCCCCCCCCCCNCCCCCCOCCONCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s10;d22;s22;s24;s25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O₂
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.4076
Area:	681.613
Solvation:	-3.63277
Coulombic:	-38.3527

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.534
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.11
LogP (Chemaxon):	6.25

Name Annotations

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

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