N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide

C20H24FN3O3S — CID 146229376

IUPACN-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)CCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C20H24FN3O3S/c1-4-28(26)23(2)7-8-27-16-9-15(12-22-13-16)17-10-14-5-6-20(25)24(3)19(14)11-18(17)21/h9-13H,4-8H2,1-3H3
InChIKeyWGXSBTFWQFJMDU-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide

N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide (PubChem CID 146229376) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide.

Molecular Properties

Compound NameN-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
PubChem CID146229376
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)CCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C20H24FN3O3S/c1-4-28(26)23(2)7-8-27-16-9-15(12-22-13-16)17-10-14-5-6-20(25)24(3)19(14)11-18(17)21/h9-13H,4-8H2,1-3H3
InChIKeyWGXSBTFWQFJMDU-UHFFFAOYSA-N
XLogP2.79
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
CID 142719540
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
CID 89439881
N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 89448537
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
CID 163810007
CID 163810007
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679151
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
N-[3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)oxy]propyl]-2-nitro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 90229642
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
1-methyl-6-[5-[(2-oxopyrimidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297285

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide?
The IUPAC name of N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide (CID 146229376) is N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide.
What is the SMILES notation for N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide?
The canonical SMILES for N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide is CCS(=O)N(C)CCOc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1.
What is the InChIKey of N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide?
The InChIKey is WGXSBTFWQFJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-4-28(26)23(2)7-8-27-16-9-15(12-22-13-16)17-10-14-5-6-20(25)24(3)19(14)11-18(17)21/h9-13H,4-8H2,1-3H3.
What are the key properties of N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide?
N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide has a molecular weight of 405.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide is sourced from PubChem (CID 146229376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).