(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

C16H13NO3S — CID 938851

IUPAC(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)c3cccs3)cc2c1
InChIInChI=1S/C16H13NO3S/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-20-16(19)14-3-2-6-21-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMKZQTGYFCIZIKT-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.26
Rot. Bonds3

About (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (PubChem CID 938851) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
PubChem CID938851
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)c3cccs3)cc2c1
InChIInChI=1S/C16H13NO3S/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-20-16(19)14-3-2-6-21-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMKZQTGYFCIZIKT-UHFFFAOYSA-N
XLogP3.26
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate (CID 938851) is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is Cc1ccc2[nH]c(=O)c(COC(=O)c3cccs3)cc2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
The InChIKey is MKZQTGYFCIZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-10-4-5-13-11(7-10)8-12(15(18)17-13)9-20-16(19)14-3-2-6-21-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate?
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 938851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).