magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide

C116H113BrCrMgN12O14 — CID 159519694

IUPACmagnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide
SMILESCCC(N)c1ccccc1.CCC(NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CON(C)C(=O)CCc1ccncc1.O=C(CCc1ccncc1)c1ccccc1.O=C(O)CCc1ccncc1.O=C(O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12.O=C1Nc2ccccc2C1=O.O=[Cr](=O)=O.OCCCc1ccncc1.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C31H27N3O.C22H16N2O2.C14H13NO.C10H14N2O2.C9H13N.C8H5NO2.C8H9NO2.C8H11NO.C6H5.BrH.Cr.Mg.3O/c1-2-27(23-11-5-3-6-12-23)34-31(35)29-25-15-9-10-16-28(25)33-30(24-13-7-4-8-14-24)26(29)21-22-17-19-32-20-18-22;25-22(26)20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-23-13-11-15;16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;1-12(14-2)10(13)4-3-9-5-7-11-8-6-9;1-2-9(10)8-6-4-3-5-7-8;10-7-5-3-1-2-4-6(5)9-8(7)11;10-8(11)2-1-7-3-5-9-6-4-7;10-7-1-2-8-3-5-9-6-4-8;1-2-4-6-5-3-1;;;;;;/h3-20,27H,2,21H2,1H3,(H,34,35);1-13H,14H2,(H,25,26);1-5,8-11H,6-7H2;5-8H,3-4H2,1-2H3;3-7,9H,2,10H2,1H3;1-4H,(H,9,10,11);3-6H,1-2H2,(H,10,11);3-6,10H,1-2,7H2;1-5H;1H;;;;;/q;;;;;;;;-1;;;+2;;;/p-1
InChIKeyZQUIPRVPPVBBCZ-UHFFFAOYSA-M
MW2055.45 g/mol
LogP18.06
Rot. Bonds27

About magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide

magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide (PubChem CID 159519694) has the molecular formula C116H113BrCrMgN12O14 and a molecular weight of 2055.45 g/mol. Its IUPAC name is magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide.

Molecular Properties

Compound Namemagnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide
PubChem CID159519694
Molecular FormulaC116H113BrCrMgN12O14
Molecular Weight2055.45 g/mol
Exact Mass2052.69
IUPAC Namemagnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide
SMILESCCC(N)c1ccccc1.CCC(NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CON(C)C(=O)CCc1ccncc1.O=C(CCc1ccncc1)c1ccccc1.O=C(O)CCc1ccncc1.O=C(O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12.O=C1Nc2ccccc2C1=O.O=[Cr](=O)=O.OCCCc1ccncc1.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C31H27N3O.C22H16N2O2.C14H13NO.C10H14N2O2.C9H13N.C8H5NO2.C8H9NO2.C8H11NO.C6H5.BrH.Cr.Mg.3O/c1-2-27(23-11-5-3-6-12-23)34-31(35)29-25-15-9-10-16-28(25)33-30(24-13-7-4-8-14-24)26(29)21-22-17-19-32-20-18-22;25-22(26)20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-23-13-11-15;16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;1-12(14-2)10(13)4-3-9-5-7-11-8-6-9;1-2-9(10)8-6-4-3-5-7-8;10-7-5-3-1-2-4-6(5)9-8(7)11;10-8(11)2-1-7-3-5-9-6-4-7;10-7-1-2-8-3-5-9-6-4-8;1-2-4-6-5-3-1;;;;;;/h3-20,27H,2,21H2,1H3,(H,34,35);1-13H,14H2,(H,25,26);1-5,8-11H,6-7H2;5-8H,3-4H2,1-2H3;3-7,9H,2,10H2,1H3;1-4H,(H,9,10,11);3-6H,1-2H2,(H,10,11);3-6,10H,1-2,7H2;1-5H;1H;;;;;/q;;;;;;;;-1;;;+2;;;/p-1
InChIKeyZQUIPRVPPVBBCZ-UHFFFAOYSA-M
XLogP18.06
TPSA397.06 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.45
LogP ≤ 518.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide with MolForge

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Related Compounds

3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10600296
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482
N-(2-cyano-1-phenylethyl)-3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxamide
CID 71206675
3-hydroxy-7-methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 127048298
3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 157269320

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide?
The IUPAC name of magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide (CID 159519694) is magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide.
What is the SMILES notation for magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide?
The canonical SMILES for magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide is CCC(N)c1ccccc1.CCC(NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CON(C)C(=O)CCc1ccncc1.O=C(CCc1ccncc1)c1ccccc1.O=C(O)CCc1ccncc1.O=C(O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12.O=C1Nc2ccccc2C1=O.O=[Cr](=O)=O.OCCCc1ccncc1.[Br-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide?
The InChIKey is ZQUIPRVPPVBBCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H27N3O.C22H16N2O2.C14H13NO.C10H14N2O2.C9H13N.C8H5NO2.C8H9NO2.C8H11NO.C6H5.BrH.Cr.Mg.3O/c1-2-27(23-11-5-3-6-12-23)34-31(35)29-25-15-9-10-16-28(25)33-30(24-13-7-4-8-14-24)26(29)21-22-17-19-32-20-18-22;25-22(26)20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-23-13-11-15;16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;1-12(14-2)10(13)4-3-9-5-7-11-8-6-9;1-2-9(10)8-6-4-3-5-7-8;10-7-5-3-1-2-4-6(5)9-8(7)11;10-8(11)2-1-7-3-5-9-6-4-7;10-7-1-2-8-3-5-9-6-4-8;1-2-4-6-5-3-1;;;;;;/h3-20,27H,2,21H2,1H3,(H,34,35);1-13H,14H2,(H,25,26);1-5,8-11H,6-7H2;5-8H,3-4H2,1-2H3;3-7,9H,2,10H2,1H3;1-4H,(H,9,10,11);3-6H,1-2H2,(H,10,11);3-6,10H,1-2,7H2;1-5H;1H;;;;;/q;;;;;;;;-1;;;+2;;;/p-1.
What are the key properties of magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide?
magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide has a molecular weight of 2055.45 g/mol, XLogP of 18.06, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-(1-phenylpropyl)-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;1-phenylpropan-1-amine;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;3-pyridin-4-ylpropan-1-ol;trioxochromium;bromide is sourced from PubChem (CID 159519694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).