1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

C18H19ClFN3O3S — CID 126637110

IUPAC1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(Cl)nc3)cc(F)c21
InChIInChI=1S/C18H19ClFN3O3S/c1-3-23-17(24)6-11(2)14-7-13(8-15(20)18(14)23)22-27(25,26)10-12-4-5-16(19)21-9-12/h4-5,7-9,11,22H,3,6,10H2,1-2H3
InChIKeyUROWKRNLAJKVDQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.68
Rot. Bonds5

About 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 126637110) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID126637110
Molecular FormulaC18H19ClFN3O3S
Molecular Weight411.89 g/mol
Exact Mass411.08
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(Cl)nc3)cc(F)c21
InChIInChI=1S/C18H19ClFN3O3S/c1-3-23-17(24)6-11(2)14-7-13(8-15(20)18(14)23)22-27(25,26)10-12-4-5-16(19)21-9-12/h4-5,7-9,11,22H,3,6,10H2,1-2H3
InChIKeyUROWKRNLAJKVDQ-UHFFFAOYSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 126637110) is 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(Cl)nc3)cc(F)c21.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is UROWKRNLAJKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c1-3-23-17(24)6-11(2)14-7-13(8-15(20)18(14)23)22-27(25,26)10-12-4-5-16(19)21-9-12/h4-5,7-9,11,22H,3,6,10H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 411.89 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 126637110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).