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Chemical ID: 6804809

CCc1c(c2ccccc2nc1c3ccccc3)C(=O)NC(C)CCc4ccccc4

Chemical ID:

6804809

Name [?]:

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

SMILES [?]:

CCc1c(c2ccccc2nc1c3ccccc3)C(=O)NC(C)CCc4ccccc4

InChi [?]:

InChI=1/C28H28N2O/c1-3-23-26(28(31)29-20(2)18-19-21-12-6-4-7-13-21)24-16-10-11-17-25(24)30-27(23)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,23,2,29,16,28,30,15,17,7,8,27,31,14,18,6,9,24,25,22,26,13,3,5,10,4,12,19,21,11,20/E:(6,7)(8,9)(12,13)(14,15)/rA:31cCCCCCCCCCCNCCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;s13;d14;s15;d16;d13s17;s4;d19;s19;s21;s22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O
All Atoms:	59
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.8963
Area:	651.902
Solvation:	-2.40122
Coulombic:	-32.4779

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.535
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.93
LogP (Chemaxon):	6.82

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