N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide

C19H23N3O2S — CID 146605053

IUPACN-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
SMILESCCS(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C19H23N3O2S/c1-4-25(24)21-13(2)16-10-17(12-20-11-16)14-5-7-18-15(9-14)6-8-19(23)22(18)3/h5,7,9-13,21H,4,6,8H2,1-3H3
InChIKeyJUMYIOTVWGIZJY-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.99
Rot. Bonds5

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

N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide (PubChem CID 146605053) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
PubChem CID146605053
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
SMILESCCS(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C19H23N3O2S/c1-4-25(24)21-13(2)16-10-17(12-20-11-16)14-5-7-18-15(9-14)6-8-19(23)22(18)3/h5,7,9-13,21H,4,6,8H2,1-3H3
InChIKeyJUMYIOTVWGIZJY-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide?
The IUPAC name of N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide (CID 146605053) is N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide.
What is the SMILES notation for N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide?
The canonical SMILES for N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide is CCS(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide?
The InChIKey is JUMYIOTVWGIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-25(24)21-13(2)16-10-17(12-20-11-16)14-5-7-18-15(9-14)6-8-19(23)22(18)3/h5,7,9-13,21H,4,6,8H2,1-3H3.
What are the key properties of N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide?
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide has a molecular weight of 357.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide is sourced from PubChem (CID 146605053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).