N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide

C18H22N2O3S — CID 134073719

IUPACN-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
SMILESCOCCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N2O3S/c1-23-9-8-20-16-6-5-14(11-13(16)4-7-18(20)22)19-17(21)12-15-3-2-10-24-15/h2-4,7,10,14H,5-6,8-9,11-12H2,1H3,(H,19,21)
InChIKeyIACXBBVMXSWKLE-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide

N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide (PubChem CID 134073719) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
PubChem CID134073719
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide
SMILESCOCCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N2O3S/c1-23-9-8-20-16-6-5-14(11-13(16)4-7-18(20)22)19-17(21)12-15-3-2-10-24-15/h2-4,7,10,14H,5-6,8-9,11-12H2,1H3,(H,19,21)
InChIKeyIACXBBVMXSWKLE-UHFFFAOYSA-N
XLogP1.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide (CID 134073719) is N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide is COCCn1c2c(ccc1=O)CC(NC(=O)Cc1cccs1)CC2.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide?
The InChIKey is IACXBBVMXSWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-9-8-20-16-6-5-14(11-13(16)4-7-18(20)22)19-17(21)12-15-3-2-10-24-15/h2-4,7,10,14H,5-6,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide?
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide has a molecular weight of 346.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 134073719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).