N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide

C19H14N2O2S2 — CID 667054

IUPACN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C19H14N2O2S2/c1-21-13-7-3-2-6-12(13)17(22)16(14-8-4-10-24-14)18(21)20-19(23)15-9-5-11-25-15/h2-11H,1H3,(H,20,23)
InChIKeyLMSKQVULHSYFNW-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.58
Rot. Bonds3

About N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide

N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide (PubChem CID 667054) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide
PubChem CID667054
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC NameN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C19H14N2O2S2/c1-21-13-7-3-2-6-12(13)17(22)16(14-8-4-10-24-14)18(21)20-19(23)15-9-5-11-25-15/h2-11H,1H3,(H,20,23)
InChIKeyLMSKQVULHSYFNW-UHFFFAOYSA-N
XLogP4.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide (CID 667054) is N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide is Cn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21.
What is the InChIKey of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide?
The InChIKey is LMSKQVULHSYFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c1-21-13-7-3-2-6-12(13)17(22)16(14-8-4-10-24-14)18(21)20-19(23)15-9-5-11-25-15/h2-11H,1H3,(H,20,23).
What are the key properties of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide?
N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 667054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).