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Chemical ID: 4921366

Cn1c2ccccc2c(c(c1=O)Cc3c(c4ccccc4n(c3=O)C)O)O

Chemical ID:

4921366

Name [?]:

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)methyl]-1-methyl-quinolin-2-one

SMILES [?]:

Cn1c2ccccc2c(c(c1=O)Cc3c(c4ccccc4n(c3=O)C)O)O

InChi [?]:

InChI=1/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,6,18,5,19,7,17,4,20,13,8,16,10,14,3,21,9,15,11,23,2,22,27,26,12,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)/rA:27nCNCCCCCCCCCOCCCCCCCCCNCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;s13;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;s22;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₂O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	8.52514
Area:	518.233
Solvation:	-4.43069
Coulombic:	-64.2518

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	362.379
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.18
LogP (Chemaxon):	3.83

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