N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide

C24H19ClFN3O3S — CID 171501531

IUPACN-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc3ccc(Cl)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1
InChIInChI=1S/C24H19ClFN3O3S/c1-15-3-5-18(13-27-15)24(30)29(21-9-8-19(26)12-22(21)33(2,31)32)14-16-4-6-17-7-10-23(25)28-20(17)11-16/h3-13H,14H2,1-2H3
InChIKeyGLRSXTUFQGSMKT-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.98
Rot. Bonds5

About N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide

N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 171501531) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID171501531
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC NameN-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc3ccc(Cl)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1
InChIInChI=1S/C24H19ClFN3O3S/c1-15-3-5-18(13-27-15)24(30)29(21-9-8-19(26)12-22(21)33(2,31)32)14-16-4-6-17-7-10-23(25)28-20(17)11-16/h3-13H,14H2,1-2H3
InChIKeyGLRSXTUFQGSMKT-UHFFFAOYSA-N
XLogP4.98
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide (CID 171501531) is N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N(Cc2ccc3ccc(Cl)nc3c2)c2ccc(F)cc2S(C)(=O)=O)cn1.
What is the InChIKey of N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is GLRSXTUFQGSMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c1-15-3-5-18(13-27-15)24(30)29(21-9-8-19(26)12-22(21)33(2,31)32)14-16-4-6-17-7-10-23(25)28-20(17)11-16/h3-13H,14H2,1-2H3.
What are the key properties of N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide?
N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 171501531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).