6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C69H56BBrCl5F2N9O6S2 — CID 161444011

IUPAC6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3nccc(Cl)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.O=S(=O)(Nc1cc(-c2ccc3nccc(Cl)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCCCC4)c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C25H22ClFN4O2S.C20H12Cl2FN3O2S.C15H17BClNO2.C9H5BrClN/c26-25-23(30-34(32,33)20-7-5-19(27)6-8-20)15-18(16-29-25)17-4-9-22-21(14-17)24(10-11-28-22)31-12-2-1-3-13-31;21-17-7-8-24-18-6-1-12(9-16(17)18)13-10-19(20(22)25-11-13)26-29(27,28)15-4-2-14(23)3-5-15;1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h4-11,14-16,30H,1-3,12-13H2;1-11,26H;5-9H,1-4H3;1-5H
InChIKeyVZQQIQQWRDOPDZ-UHFFFAOYSA-N
MW1477.37 g/mol
LogP18.26
Rot. Bonds10

About 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 161444011) has the molecular formula C69H56BBrCl5F2N9O6S2 and a molecular weight of 1477.37 g/mol. Its IUPAC name is 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID161444011
Molecular FormulaC69H56BBrCl5F2N9O6S2
Molecular Weight1477.37 g/mol
Exact Mass1473.15
IUPAC Name6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3nccc(Cl)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.O=S(=O)(Nc1cc(-c2ccc3nccc(Cl)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCCCC4)c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C25H22ClFN4O2S.C20H12Cl2FN3O2S.C15H17BClNO2.C9H5BrClN/c26-25-23(30-34(32,33)20-7-5-19(27)6-8-20)15-18(16-29-25)17-4-9-22-21(14-17)24(10-11-28-22)31-12-2-1-3-13-31;21-17-7-8-24-18-6-1-12(9-16(17)18)13-10-19(20(22)25-11-13)26-29(27,28)15-4-2-14(23)3-5-15;1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h4-11,14-16,30H,1-3,12-13H2;1-11,26H;5-9H,1-4H3;1-5H
InChIKeyVZQQIQQWRDOPDZ-UHFFFAOYSA-N
XLogP18.26
TPSA191.38 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.37
LogP ≤ 518.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline with MolForge

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Related Compounds

N-[2-chloro-5-(3-chloroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 158840474
5-bromo-2-chloro-N,N-bis[(4-fluorophenyl)methyl]pyridin-3-amine;5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;7-bromo-2-methylquinoxaline;7-bromo-1H-quinoxalin-2-one;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;1H-quinoxalin-2-one
CID 159723105
6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethyl-7-fluoroquinazolin-6-yl]-6-methyl-2-pyridinyl]benzenesulfonamide;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
CID 160494651
5-bromo-2-chloropyridin-3-amine;2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 160837476
5-bromo-2-chloropyridin-3-amine;N-(5-bromo-2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide;6-bromo-4-chloroquinoline;4-(6-bromoquinolin-4-yl)morpholine;N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
CID 162111876
6-bromo-4-chloroquinazoline;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;N-[2-chloro-5-[4-(1-phenylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;methane;1-phenylethanamine
CID 165083210
6-bromo-8-ethyl-2,7-difluoroquinazoline;2-chloro-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2,7-difluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 167704496

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 161444011) is 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CC1(C)OB(c2ccc3nccc(Cl)c3c2)OC1(C)C.Clc1ccnc2ccc(Br)cc12.O=S(=O)(Nc1cc(-c2ccc3nccc(Cl)c3c2)cnc1Cl)c1ccc(F)cc1.O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCCCC4)c3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is VZQQIQQWRDOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2S.C20H12Cl2FN3O2S.C15H17BClNO2.C9H5BrClN/c26-25-23(30-34(32,33)20-7-5-19(27)6-8-20)15-18(16-29-25)17-4-9-22-21(14-17)24(10-11-28-22)31-12-2-1-3-13-31;21-17-7-8-24-18-6-1-12(9-16(17)18)13-10-19(20(22)25-11-13)26-29(27,28)15-4-2-14(23)3-5-15;1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13;10-6-1-2-9-7(5-6)8(11)3-4-12-9/h4-11,14-16,30H,1-3,12-13H2;1-11,26H;5-9H,1-4H3;1-5H.
What are the key properties of 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1477.37 g/mol, XLogP of 18.26, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinoline;N-[2-chloro-5-(4-chloroquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[2-chloro-5-(4-piperidin-1-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 161444011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).