dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane

C63H59Br3Cl5K2N5O11 — CID 159264255

IUPACdipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane
SMILESBrc1cnc2ccc(OCc3ccccc3)cc2c1.C.C.C.CC(=O)Cl.CC(=O)Oc1ccc2ncc(Br)cc2c1.CC(=O)Oc1ccc2ncccc2c1.ClC(Cl)(Cl)Cl.O=CO[O-].Oc1ccc2ncc(Br)cc2c1.Oc1ccc2ncccc2c1.[H-].[K+].[K+]
InChIInChI=1S/C16H12BrNO.C11H8BrNO2.C11H9NO2.C9H6BrNO.C9H7NO.C2H3ClO.CCl4.CH2O3.3CH4.2K.H/c17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-7(14)15-10-2-3-11-8(5-10)4-9(12)6-13-11;1-8(13)14-10-4-5-11-9(7-10)3-2-6-12-11;10-7-3-6-4-8(12)1-2-9(6)11-5-7;11-8-3-4-9-7(6-8)2-1-5-10-9;1-2(3)4;2-1(3,4)5;2-1-4-3;;;;;;/h1-10H,11H2;2-6H,1H3;2-7H,1H3;1-5,12H;1-6,11H;1H3;;1,3H;3*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1
InChIKeyPILUELMMZFFBDC-UHFFFAOYSA-M
MW1557.36 g/mol
LogP12.09
Rot. Bonds6

About dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane

dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane (PubChem CID 159264255) has the molecular formula C63H59Br3Cl5K2N5O11 and a molecular weight of 1557.36 g/mol. Its IUPAC name is dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane.

Molecular Properties

Compound Namedipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane
PubChem CID159264255
Molecular FormulaC63H59Br3Cl5K2N5O11
Molecular Weight1557.36 g/mol
Exact Mass1550.95
IUPAC Namedipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane
SMILESBrc1cnc2ccc(OCc3ccccc3)cc2c1.C.C.C.CC(=O)Cl.CC(=O)Oc1ccc2ncc(Br)cc2c1.CC(=O)Oc1ccc2ncccc2c1.ClC(Cl)(Cl)Cl.O=CO[O-].Oc1ccc2ncc(Br)cc2c1.Oc1ccc2ncccc2c1.[H-].[K+].[K+]
InChIInChI=1S/C16H12BrNO.C11H8BrNO2.C11H9NO2.C9H6BrNO.C9H7NO.C2H3ClO.CCl4.CH2O3.3CH4.2K.H/c17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-7(14)15-10-2-3-11-8(5-10)4-9(12)6-13-11;1-8(13)14-10-4-5-11-9(7-10)3-2-6-12-11;10-7-3-6-4-8(12)1-2-9(6)11-5-7;11-8-3-4-9-7(6-8)2-1-5-10-9;1-2(3)4;2-1(3,4)5;2-1-4-3;;;;;;/h1-10H,11H2;2-6H,1H3;2-7H,1H3;1-5,12H;1-6,11H;1H3;;1,3H;3*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1
InChIKeyPILUELMMZFFBDC-UHFFFAOYSA-M
XLogP12.09
TPSA233.17 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.36
LogP ≤ 512.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane with MolForge

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Related Compounds

Potassium;(3-bromoquinolin-6-yl) acetate;4-methanidylmorpholine;3-(morpholin-4-ylmethyl)quinolin-6-ol;[3-(morpholin-4-ylmethyl)quinolin-6-yl] trifluoromethanesulfonate;trifluoroborane
CID 161133702
3-Bromoquinolin-6-ol;methyl 2-(3-bromoquinolin-6-yl)oxyacetate
CID 68737172
Potassium;3-bromo-6-phenylmethoxyquinoline;1-ethyl-4-methylpiperazine;6-methyl-3-[(4-methylpiperazin-1-yl)methyl]quinoline;3-[(4-methylpiperazin-1-yl)methyl]-6-phenylmethoxyquinoline;3-[(4-methylpiperazin-1-yl)methyl]quinolin-6-ol
CID 157499905
2-[(E)-2-(2-bromophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methoxyquinoline;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-6-methoxyquinoline;6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]quinoline;6-methoxy-2-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]quinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]-6-propan-2-yloxyquinoline;2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
CID 159042923
Dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide
CID 160773069
3-Bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;quinolin-6-ol;quinolin-6-yl acetate
CID 161316712

Frequently Asked Questions

What is the IUPAC name of dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane?
The IUPAC name of dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane (CID 159264255) is dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane.
What is the SMILES notation for dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane?
The canonical SMILES for dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane is Brc1cnc2ccc(OCc3ccccc3)cc2c1.C.C.C.CC(=O)Cl.CC(=O)Oc1ccc2ncc(Br)cc2c1.CC(=O)Oc1ccc2ncccc2c1.ClC(Cl)(Cl)Cl.O=CO[O-].Oc1ccc2ncc(Br)cc2c1.Oc1ccc2ncccc2c1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane?
The InChIKey is PILUELMMZFFBDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12BrNO.C11H8BrNO2.C11H9NO2.C9H6BrNO.C9H7NO.C2H3ClO.CCl4.CH2O3.3CH4.2K.H/c17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-7(14)15-10-2-3-11-8(5-10)4-9(12)6-13-11;1-8(13)14-10-4-5-11-9(7-10)3-2-6-12-11;10-7-3-6-4-8(12)1-2-9(6)11-5-7;11-8-3-4-9-7(6-8)2-1-5-10-9;1-2(3)4;2-1(3,4)5;2-1-4-3;;;;;;/h1-10H,11H2;2-6H,1H3;2-7H,1H3;1-5,12H;1-6,11H;1H3;;1,3H;3*1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane?
dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane has a molecular weight of 1557.36 g/mol, XLogP of 12.09, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane is sourced from PubChem (CID 159264255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).