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Chemical ID: 5522173

CCCCN(c1ccccc1)C(=O)c2cc(nc3c2cccc3)c4ccccc4

Chemical ID:

5522173

Name [?]:

N-butyl-N,2-diphenyl-quinoline-4-carboxamide

SMILES [?]:

CCCCN(c1ccccc1)C(=O)c2cc(nc3c2cccc3)c4ccccc4

InChi [?]:

InChI=1/C26H24N2O/c1-2-3-18-28(21-14-8-5-9-15-21)26(29)23-19-25(20-12-6-4-7-13-20)27-24-17-11-10-16-22(23)24/h4-17,19H,2-3,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,27,9,26,28,8,10,21,22,25,29,7,11,20,23,4,15,24,6,19,14,18,16,12,17,5,13/E:(6,7)(8,9)(12,13)(14,15)/rA:29nCCCCNCCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s16;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9742
Area:	609.399
Solvation:	-2.26081
Coulombic:	-27.2461

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	380.482
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.62
LogP (Chemaxon):	6.25

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