N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide

C16H18N2O2S — CID 118739002

IUPACN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide
SMILESCn1c2c(ccc1=O)CC(NC(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H18N2O2S/c1-18-14-4-3-13(9-12(14)2-5-16(18)20)17-15(19)8-11-6-7-21-10-11/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,17,19)
InChIKeyQKLLPMXQKKZPPH-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.66
Rot. Bonds3

About N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide

N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide (PubChem CID 118739002) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide
PubChem CID118739002
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide
SMILESCn1c2c(ccc1=O)CC(NC(=O)Cc1ccsc1)CC2
InChIInChI=1S/C16H18N2O2S/c1-18-14-4-3-13(9-12(14)2-5-16(18)20)17-15(19)8-11-6-7-21-10-11/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,17,19)
InChIKeyQKLLPMXQKKZPPH-UHFFFAOYSA-N
XLogP1.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide (CID 118739002) is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide is Cn1c2c(ccc1=O)CC(NC(=O)Cc1ccsc1)CC2.
What is the InChIKey of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide?
The InChIKey is QKLLPMXQKKZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18-14-4-3-13(9-12(14)2-5-16(18)20)17-15(19)8-11-6-7-21-10-11/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,17,19).
What are the key properties of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide?
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide has a molecular weight of 302.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118739002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).