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Chemical ID: 6464842

Chemical ID:

6464842

Name [?]:

N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-2-methyl-quinoline-3-carboxamide

SMILES [?]:

CCOc1cc(ccc1O)C=NNC(=O)c2cc3ccccc3nc2C

InChi [?]:

InChI=1/C20H19N3O3/c1-3-26-19-10-14(8-9-18(19)24)12-21-23-20(25)16-11-15-6-4-5-7-17(15)22-13(16)2/h4-12,24H,3H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,26,2,20,21,19,22,7,8,5,17,11,25,6,18,16,23,9,4,14,12,24,13,10,15,3/rA:26nCCOCCCCCCOCNNCOCCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉N₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.29744
Area:	563.012
Solvation:	-5.77786
Coulombic:	-47.7484

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	349.383
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.34
LogP (Chemaxon):	3.31

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