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

C15H16N2O2S — CID 118740728

IUPACN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide
SMILESCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2
InChIInChI=1S/C15H16N2O2S/c1-17-13-4-3-12(8-10(13)2-5-14(17)18)16-15(19)11-6-7-20-9-11/h2,5-7,9,12H,3-4,8H2,1H3,(H,16,19)
InChIKeyLKEORJMRAXJNRC-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.73
Rot. Bonds2

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

N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide (PubChem CID 118740728) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide
PubChem CID118740728
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide
SMILESCn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2
InChIInChI=1S/C15H16N2O2S/c1-17-13-4-3-12(8-10(13)2-5-14(17)18)16-15(19)11-6-7-20-9-11/h2,5-7,9,12H,3-4,8H2,1H3,(H,16,19)
InChIKeyLKEORJMRAXJNRC-UHFFFAOYSA-N
XLogP1.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.73
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)thiophene-3-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide (CID 118740728) is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide is Cn1c2c(ccc1=O)CC(NC(=O)c1ccsc1)CC2.
What is the InChIKey of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide?
The InChIKey is LKEORJMRAXJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17-13-4-3-12(8-10(13)2-5-14(17)18)16-15(19)11-6-7-20-9-11/h2,5-7,9,12H,3-4,8H2,1H3,(H,16,19).
What are the key properties of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide?
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 1.73, 2 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)thiophene-3-carboxamide is sourced from PubChem (CID 118740728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).