N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide

C42H44Cl2N8O6S2 — CID 91142312

IUPACN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
SMILESCC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CN(c5cc(-c6ccc7nccc(N8CC(C)OC(C)C8)c7c6)cnc5Cl)S(C)(=O)=O)c4)cc23)CC(C)O1
InChIInChI=1S/C42H44Cl2N8O6S2/c1-25-20-50(21-26(2)57-25)38-10-12-45-35-8-6-29(14-33(35)38)31-16-37(41(43)47-18-31)49-60(55,56)24-52(59(5,53)54)40-17-32(19-48-42(40)44)30-7-9-36-34(15-30)39(11-13-46-36)51-22-27(3)58-28(4)23-51/h6-19,25-28,49H,20-24H2,1-5H3
InChIKeyPESUKJWGXBYNPV-UHFFFAOYSA-N
MW891.90 g/mol
LogP7.61
Rot. Bonds10

About N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide

N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide (PubChem CID 91142312) has the molecular formula C42H44Cl2N8O6S2 and a molecular weight of 891.90 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
PubChem CID91142312
Molecular FormulaC42H44Cl2N8O6S2
Molecular Weight891.90 g/mol
Exact Mass890.22
IUPAC NameN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
SMILESCC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CN(c5cc(-c6ccc7nccc(N8CC(C)OC(C)C8)c7c6)cnc5Cl)S(C)(=O)=O)c4)cc23)CC(C)O1
InChIInChI=1S/C42H44Cl2N8O6S2/c1-25-20-50(21-26(2)57-25)38-10-12-45-35-8-6-29(14-33(35)38)31-16-37(41(43)47-18-31)49-60(55,56)24-52(59(5,53)54)40-17-32(19-48-42(40)44)30-7-9-36-34(15-30)39(11-13-46-36)51-22-27(3)58-28(4)23-51/h6-19,25-28,49H,20-24H2,1-5H3
InChIKeyPESUKJWGXBYNPV-UHFFFAOYSA-N
XLogP7.61
TPSA160.05 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.90
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 156767718
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-4-chloropyridin-3-amine
CID 146676623
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609545
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 44609703
N-[2-chloro-5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 58229449
N-[2-chloro-5-[4-(2-methoxypropylamino)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 87258009
N-[2-chloro-5-[4-(5-fluoro-1,3-dihydroisoindol-2-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-[(3-fluorophenyl)methyl-methylamino]quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
CID 90803202
N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-(2-methylpropyl)-2-pyridin-2-ylquinolin-4-amine
CID 91021691
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide
CID 143915399
2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
CID 143915434
N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-6-(cyclopropylmethyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 144115140

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide (CID 91142312) is N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide is CC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)CN(c5cc(-c6ccc7nccc(N8CC(C)OC(C)C8)c7c6)cnc5Cl)S(C)(=O)=O)c4)cc23)CC(C)O1.
What is the InChIKey of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide?
The InChIKey is PESUKJWGXBYNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44Cl2N8O6S2/c1-25-20-50(21-26(2)57-25)38-10-12-45-35-8-6-29(14-33(35)38)31-16-37(41(43)47-18-31)49-60(55,56)24-52(59(5,53)54)40-17-32(19-48-42(40)44)30-7-9-36-34(15-30)39(11-13-46-36)51-22-27(3)58-28(4)23-51/h6-19,25-28,49H,20-24H2,1-5H3.
What are the key properties of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide?
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide has a molecular weight of 891.90 g/mol, XLogP of 7.61, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide is sourced from PubChem (CID 91142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).