N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide

C17H23N3O2S — CID 118952012

IUPACN-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide
SMILESCCN(CCNc1cnc2ccc(SC)cc2c1OC)C(C)=O
InChIInChI=1S/C17H23N3O2S/c1-5-20(12(2)21)9-8-18-16-11-19-15-7-6-13(23-4)10-14(15)17(16)22-3/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyKTLUGZHUYHKRDX-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide

N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide (PubChem CID 118952012) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide
PubChem CID118952012
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide
SMILESCCN(CCNc1cnc2ccc(SC)cc2c1OC)C(C)=O
InChIInChI=1S/C17H23N3O2S/c1-5-20(12(2)21)9-8-18-16-11-19-15-7-6-13(23-4)10-14(15)17(16)22-3/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyKTLUGZHUYHKRDX-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide?
The IUPAC name of N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide (CID 118952012) is N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide is CCN(CCNc1cnc2ccc(SC)cc2c1OC)C(C)=O.
What is the InChIKey of N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide?
The InChIKey is KTLUGZHUYHKRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-20(12(2)21)9-8-18-16-11-19-15-7-6-13(23-4)10-14(15)17(16)22-3/h6-7,10-11,18H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide?
N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-methoxy-6-methylsulfanylquinolin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 118952012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).