N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide

C20H22N2O3S — CID 1459179

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)CC)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-3-19(23)22(13-17-6-5-9-26-17)12-15-10-14-11-16(25-4-2)7-8-18(14)21-20(15)24/h5-11H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyYMFNEFQNIDTXRV-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.93
Rot. Bonds7

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 1459179) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID1459179
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)CC)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-3-19(23)22(13-17-6-5-9-26-17)12-15-10-14-11-16(25-4-2)7-8-18(14)21-20(15)24/h5-11H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyYMFNEFQNIDTXRV-UHFFFAOYSA-N
XLogP3.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide (CID 1459179) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)CC)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YMFNEFQNIDTXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-19(23)22(13-17-6-5-9-26-17)12-15-10-14-11-16(25-4-2)7-8-18(14)21-20(15)24/h5-11H,3-4,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 1459179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).