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Chemical ID: 4182138

Chemical ID:

4182138

Name [?]:

2-(4-hydroxyphenyl)quinoline-4-carboxamide

SMILES [?]:

c1ccc2c(c1)c(cc(n2)c3ccc(cc3)O)C(=O)N

InChi [?]:

InChI=1/C16H12N2O2/c17-16(20)13-9-15(10-5-7-11(19)8-6-10)18-14-4-2-1-3-12(13)14/h1-9,19H,(H2,17,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,12,16,13,15,8,11,14,5,7,4,9,18,20,10,17,19/E:(5,6)(7,8)/rA:20nCCCCCCCCCNCCCCCCOCON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂N₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.06301
Area:	446.869
Solvation:	-3.10872
Coulombic:	-48.5945

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	264.279
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.64
LogP (Chemaxon):	2.59

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