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Chemical ID: 4539689

Cc1ccc(cc1)OC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)Cl

Chemical ID:

4539689

Name [?]:

p-tolyl 2-(4-chlorophenyl)quinoline-4-carboxylate

SMILES [?]:

Cc1ccc(cc1)OC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H16ClNO2/c1-15-6-12-18(13-7-15)27-23(26)20-14-22(16-8-10-17(24)11-9-16)25-21-5-3-2-4-19(20)21/h2-14H,1H3

InChi Info:

AuxInfo=1/0/N:1,18,19,17,20,3,7,22,26,23,25,4,6,12,2,21,24,5,16,11,15,13,9,27,14,10,8/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCOCOCCCNCCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s13;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆ClNO₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8339
Area:	591.003
Solvation:	-1.94113
Coulombic:	-29.0881

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	373.831
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.71
LogP (Chemaxon):	6.43

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

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

Chemical Mix	Source	External ID	Descriptor	Value