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

C26H24ClFN4O2S — CID 143915399

IUPACN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide
SMILESCC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)c5ccc(F)cc5)c4)cc23)CC(C)O1
InChIInChI=1S/C26H24ClFN4O2S/c1-16-14-32(15-17(2)34-16)25-9-10-29-23-8-3-18(11-22(23)25)19-12-24(26(27)30-13-19)31-35(33)21-6-4-20(28)5-7-21/h3-13,16-17,31H,14-15H2,1-2H3
InChIKeySHTDTZGWZWMLMD-UHFFFAOYSA-N
MW511.02 g/mol
LogP5.84
Rot. Bonds5

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

N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide (PubChem CID 143915399) has the molecular formula C26H24ClFN4O2S and a molecular weight of 511.02 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide
PubChem CID143915399
Molecular FormulaC26H24ClFN4O2S
Molecular Weight511.02 g/mol
Exact Mass510.13
IUPAC NameN-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide
SMILESCC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)c5ccc(F)cc5)c4)cc23)CC(C)O1
InChIInChI=1S/C26H24ClFN4O2S/c1-16-14-32(15-17(2)34-16)25-9-10-29-23-8-3-18(11-22(23)25)19-12-24(26(27)30-13-19)31-35(33)21-6-4-20(28)5-7-21/h3-13,16-17,31H,14-15H2,1-2H3
InChIKeySHTDTZGWZWMLMD-UHFFFAOYSA-N
XLogP5.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.02
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-4-fluorobenzenesulfinamide 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-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608754
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[4-(4-hydroxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609391
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-(4-pyridin-3-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53361718
N-[2-chloro-5-[4-[4-(dimethylamino)phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53363523
N-[2-chloro-5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74539042
N-[2-chloro-5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74539109
N-[2-chloro-5-[4-[4-[(dimethylamino)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 121406011
N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 156767718
N-[2-chloro-5-[4-(4-methylpiperidin-1-yl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 156767722

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide?
The IUPAC name of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide (CID 143915399) is N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide.
What is the SMILES notation for N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide?
The canonical SMILES for N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide is CC1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)c5ccc(F)cc5)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]-4-fluorobenzenesulfinamide?
The InChIKey is SHTDTZGWZWMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2S/c1-16-14-32(15-17(2)34-16)25-9-10-29-23-8-3-18(11-22(23)25)19-12-24(26(27)30-13-19)31-35(33)21-6-4-20(28)5-7-21/h3-13,16-17,31H,14-15H2,1-2H3.
What are the key properties of N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide?
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfinamide has a molecular weight of 511.02 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-fluorobenzenesulfinamide is sourced from PubChem (CID 143915399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).