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Chemical ID: 6660428

Chemical ID:

6660428

Name [?]:

2-(1-piperidyl)quinoline-4-carboxylic acid

SMILES [?]:

c1ccc2c(c1)c(cc(n2)N3CCCCC3)C(=O)O

InChi [?]:

InChI=1/C15H16N2O2/c18-15(19)12-10-14(17-8-4-1-5-9-17)16-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,19)

InChi Info:

AuxInfo=1/1/N:14,1,2,13,15,6,3,12,16,8,5,7,4,9,17,10,11,18,19/E:(4,5)(8,9)(18,19)/rA:19nCCCCCCCCCNNCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;s13;s14;s11s15;s7;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.74012
Area:	429.31
Solvation:	-1.99262
Coulombic:	-40.4443

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	256.3
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.54
LogP (Chemaxon):	2.84

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