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Chemical ID: 3965983

Chemical ID:

3965983

Name [?]:

N'-(7-chloro-4-quinolyl)-N,N-diethyl-pentane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl

InChi [?]:

InChI=1/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,5,10,2,4,7,8,19,18,13,14,6,21,9,20,17,12,16,22,15,11,3/E:(1,2)(4,5)/rA:22cCCNCCCCCCCNCCCNCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₆ClN₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1515
Area:	563.451
Solvation:	-1.93477
Coulombic:	-23.0834

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	319.872
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.27
LogP (Chemaxon):	3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value