magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride

C88H95BrClMgN11O12 — CID 159002766

IUPACmagnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride
SMILESC1CCOCC1.CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)=O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)N3CCOCC3)c3ccccc3n2)cc1.CNOC.CON(C)C(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12.Cl.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H25N3O2.C20H19N3O3.C19H16N2O2.C18H14N2O3.C5H10O.C2H7NO.CH3.BrH.ClH.Mg/c1-16(26-11-13-28-14-12-26)21-15-23(25-22-6-4-3-5-20(21)22)18-7-9-19(10-8-18)24-17(2)27;1-13(24)21-15-10-8-14(9-11-15)19-12-17(20(25)23(2)26-3)16-6-4-5-7-18(16)22-19;1-12(22)17-11-19(21-18-6-4-3-5-16(17)18)14-7-9-15(10-8-14)20-13(2)23;1-11(21)19-13-8-6-12(7-9-13)17-10-15(18(22)23)14-4-2-3-5-16(14)20-17;1-2-4-6-5-3-1;1-3-4-2;;;;/h3-10,15-16H,11-14H2,1-2H3,(H,24,27);4-12H,1-3H3,(H,21,24);3-11H,1-2H3,(H,20,23);2-10H,1H3,(H,19,21)(H,22,23);1-5H2;3H,1-2H3;1H3;2*1H;/q;;;;;;-1;;;+2/p-1
InChIKeyOEOHQZXBTSLGSC-UHFFFAOYSA-M
MW1638.45 g/mol
LogP13.82
Rot. Bonds15

About magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride

magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride (PubChem CID 159002766) has the molecular formula C88H95BrClMgN11O12 and a molecular weight of 1638.45 g/mol. Its IUPAC name is magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride.

Molecular Properties

Compound Namemagnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride
PubChem CID159002766
Molecular FormulaC88H95BrClMgN11O12
Molecular Weight1638.45 g/mol
Exact Mass1635.59
IUPAC Namemagnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride
SMILESC1CCOCC1.CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)=O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)N3CCOCC3)c3ccccc3n2)cc1.CNOC.CON(C)C(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12.Cl.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H25N3O2.C20H19N3O3.C19H16N2O2.C18H14N2O3.C5H10O.C2H7NO.CH3.BrH.ClH.Mg/c1-16(26-11-13-28-14-12-26)21-15-23(25-22-6-4-3-5-20(21)22)18-7-9-19(10-8-18)24-17(2)27;1-13(24)21-15-10-8-14(9-11-15)19-12-17(20(25)23(2)26-3)16-6-4-5-7-18(16)22-19;1-12(22)17-11-19(21-18-6-4-3-5-16(17)18)14-7-9-15(10-8-14)20-13(2)23;1-11(21)19-13-8-6-12(7-9-13)17-10-15(18(22)23)14-4-2-3-5-16(14)20-17;1-2-4-6-5-3-1;1-3-4-2;;;;/h3-10,15-16H,11-14H2,1-2H3,(H,24,27);4-12H,1-3H3,(H,21,24);3-11H,1-2H3,(H,20,23);2-10H,1H3,(H,19,21)(H,22,23);1-5H2;3H,1-2H3;1H3;2*1H;/q;;;;;;-1;;;+2/p-1
InChIKeyOEOHQZXBTSLGSC-UHFFFAOYSA-M
XLogP13.82
TPSA294.83 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001638.45
LogP ≤ 513.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride?
The IUPAC name of magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride (CID 159002766) is magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride.
What is the SMILES notation for magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride?
The canonical SMILES for magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride is C1CCOCC1.CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)=O)c3ccccc3n2)cc1.CC(=O)Nc1ccc(-c2cc(C(C)N3CCOCC3)c3ccccc3n2)cc1.CNOC.CON(C)C(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12.Cl.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride?
The InChIKey is OEOHQZXBTSLGSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N3O2.C20H19N3O3.C19H16N2O2.C18H14N2O3.C5H10O.C2H7NO.CH3.BrH.ClH.Mg/c1-16(26-11-13-28-14-12-26)21-15-23(25-22-6-4-3-5-20(21)22)18-7-9-19(10-8-18)24-17(2)27;1-13(24)21-15-10-8-14(9-11-15)19-12-17(20(25)23(2)26-3)16-6-4-5-7-18(16)22-19;1-12(22)17-11-19(21-18-6-4-3-5-16(17)18)14-7-9-15(10-8-14)20-13(2)23;1-11(21)19-13-8-6-12(7-9-13)17-10-15(18(22)23)14-4-2-3-5-16(14)20-17;1-2-4-6-5-3-1;1-3-4-2;;;;/h3-10,15-16H,11-14H2,1-2H3,(H,24,27);4-12H,1-3H3,(H,21,24);3-11H,1-2H3,(H,20,23);2-10H,1H3,(H,19,21)(H,22,23);1-5H2;3H,1-2H3;1H3;2*1H;/q;;;;;;-1;;;+2/p-1.
What are the key properties of magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride?
magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride has a molecular weight of 1638.45 g/mol, XLogP of 13.82, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(4-acetamidophenyl)-N-methoxy-N-methylquinoline-4-carboxamide;2-(4-acetamidophenyl)quinoline-4-carboxylic acid;N-[4-(4-acetylquinolin-2-yl)phenyl]acetamide;carbanide;N-methoxymethanamine;N-[4-[4-(1-morpholin-4-ylethyl)quinolin-2-yl]phenyl]acetamide;oxane;bromide;hydrochloride is sourced from PubChem (CID 159002766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).