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Chemical ID: 3968348

Chemical ID:

3968348

Name [?]:

(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)-methanol

SMILES [?]:

COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O

InChi [?]:

InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3

InChi Info:

AuxInfo=1/0/N:23,1,22,4,5,10,17,11,18,15,8,20,21,16,3,9,7,6,14,13,12,19,24,2/rA:24cCOCCCCCCCCCNCCCCCCNCCCCO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s9;s13;s14;s15;s16;s17;s14s18;s19;s16s20;s21;d22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	5

ZAP Information [?]

Total:	8.81894
Area:	503.91
Solvation:	-3.77881
Coulombic:	-36.1361

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.417
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.6
LogP (Chemaxon):	2.62

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

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Chemical Mix	Source	External ID	Descriptor	Value