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Chemical ID: 7255269

CCCN(CC(=O)Nc1ccccc1C)C(=O)c2cc(nc3c2cccc3)O

Chemical ID:

7255269

Name [?]:

2-hydroxy-N-(o-tolylcarbamoylmethyl)-N-propyl-quinoline-4-carboxamide

SMILES [?]:

CCCN(CC(=O)Nc1ccccc1C)C(=O)c2cc(nc3c2cccc3)O

InChi [?]:

InChI=1/C22H23N3O3/c1-3-12-25(14-21(27)23-18-10-6-4-8-15(18)2)22(28)17-13-20(26)24-19-11-7-5-9-16(17)19/h4-11,13H,3,12,14H2,1-2H3,(H,23,27)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,15,2,12,25,11,26,13,24,10,27,3,19,5,14,23,18,9,22,20,6,16,8,21,4,28,7,17/rA:28nCCCNCCONCCCCCCCCOCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s4;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₃
All Atoms:	51
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6622
Area:	599.402
Solvation:	-4.32287
Coulombic:	-60.6017

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	377.436
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.74
LogP (Chemaxon):	3.4

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value