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Chemical ID: 5977157

c1ccc(cc1)CC(c2ccccc2)NC(=O)c3cc(nc4c3cccc4)c5ccccc5Cl

Chemical ID:

5977157

Name [?]:

2-(2-chlorophenyl)-N-(1,2-diphenylethyl)quinoline-4-carboxamide

SMILES [?]:

c1ccc(cc1)CC(c2ccccc2)NC(=O)c3cc(nc4c3cccc4)c5ccccc5Cl

InChi [?]:

InChI=1/C30H23ClN2O/c31-26-17-9-7-16-24(26)29-20-25(23-15-8-10-18-27(23)32-29)30(34)33-28(22-13-5-2-6-14-22)19-21-11-3-1-4-12-21/h1-18,20,28H,19H2,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,12,2,6,11,13,30,25,31,26,3,5,10,14,24,29,32,27,7,19,4,9,23,28,18,33,22,8,20,16,34,21,15,17/E:(3,4)(5,6)(11,12)(13,14)/rA:34cCCCCCCCCCCCCCCNCOCCCNCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₃ClN₂O
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9431
Area:	682.013
Solvation:	-3.10722
Coulombic:	-33.0407

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	462.969
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.86
LogP (Chemaxon):	7.51

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