lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)

C23H23FLiN3O3U-2 — CID 171565904

IUPAClithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)
SMILESCN(C)[C-]=O.[CH2-]C#N.[CH2-]c1c(Cc2cccc(N)c2F)c(=O)oc2c[c-]ccc12.[CH3-].[Li+].[U+2]
InChIInChI=1S/C17H12FNO2.C3H6NO.C2H2N.CH3.Li.U/c1-10-12-6-2-3-8-15(12)21-17(20)13(10)9-11-5-4-7-14(19)16(11)18;1-4(2)3-5;1-2-3;;;/h2,4-8H,1,9,19H2;1-2H3;1H2;1H3;;/q-2;3*-1;+1;+2
InChIKeyJHZKEDLHGZEVOA-UHFFFAOYSA-N
MW653.42 g/mol
LogP0.50
Rot. Bonds3

About lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)

lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) (PubChem CID 171565904) has the molecular formula C23H23FLiN3O3U-2 and a molecular weight of 653.42 g/mol. Its IUPAC name is lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+).

Molecular Properties

Compound Namelithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)
PubChem CID171565904
Molecular FormulaC23H23FLiN3O3U-2
Molecular Weight653.42 g/mol
Exact Mass653.24
IUPAC Namelithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)
SMILESCN(C)[C-]=O.[CH2-]C#N.[CH2-]c1c(Cc2cccc(N)c2F)c(=O)oc2c[c-]ccc12.[CH3-].[Li+].[U+2]
InChIInChI=1S/C17H12FNO2.C3H6NO.C2H2N.CH3.Li.U/c1-10-12-6-2-3-8-15(12)21-17(20)13(10)9-11-5-4-7-14(19)16(11)18;1-4(2)3-5;1-2-3;;;/h2,4-8H,1,9,19H2;1-2H3;1H2;1H3;;/q-2;3*-1;+1;+2
InChIKeyJHZKEDLHGZEVOA-UHFFFAOYSA-N
XLogP0.50
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) with MolForge

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Related Compounds

3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methylchromen-2-one
CID 123939894
3-[(3-amino-2-fluorophenyl)methyl]-7-(dimethylamino)-4-[[methyl(prop-2-ynyl)amino]methyl]chromen-2-one
CID 171565865
[3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139159
3-[(3-amino-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]-7-(2-methoxyethoxymethoxy)chromen-2-one
CID 165147887
[3-[(3-amino-2-fluorophenyl)methyl]-4-[[methyl(prop-2-ynyl)amino]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate;methanamine
CID 171565931
3-[(3-amino-2-fluorophenyl)methyl]-7-hydroxy-4-methylchromen-2-one;3-[(2-fluoro-3-nitrophenyl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 158586516
O-[3-[(3-amino-2-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] N-ethenylcarbamothioate
CID 143523012
3-[(3-amino-2-fluorophenyl)methyl]-5-fluoro-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 176746991
2-[(3-amino-2-fluorophenyl)methyl]benzonitrile
CID 177164540
6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene
CID 123303875
3-[(3-amino-2-bromophenyl)methyl]-4-[(dimethylamino)methyl]-7-hydroxychromen-2-one
CID 168982880
2-fluoro-3-[[methyl(propyl)amino]methyl]aniline
CID 107347221

Frequently Asked Questions

What is the IUPAC name of lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)?
The IUPAC name of lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) (CID 171565904) is lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+).
What is the SMILES notation for lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)?
The canonical SMILES for lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) is CN(C)[C-]=O.[CH2-]C#N.[CH2-]c1c(Cc2cccc(N)c2F)c(=O)oc2c[c-]ccc12.[CH3-].[Li+].[U+2].
What is the InChIKey of lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)?
The InChIKey is JHZKEDLHGZEVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2.C3H6NO.C2H2N.CH3.Li.U/c1-10-12-6-2-3-8-15(12)21-17(20)13(10)9-11-5-4-7-14(19)16(11)18;1-4(2)3-5;1-2-3;;;/h2,4-8H,1,9,19H2;1-2H3;1H2;1H3;;/q-2;3*-1;+1;+2.
What are the key properties of lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+)?
lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) has a molecular weight of 653.42 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetonitrile;3-[(3-amino-2-fluorophenyl)methyl]-4-methanidyl-7H-chromen-7-id-2-one;carbanide;dimethylaminomethanone;uranium(2+) is sourced from PubChem (CID 171565904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).