(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate

C18H15NO4S — CID 42915242

IUPAC(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOC(=O)C(C)OC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H15NO4S/c1-11(17(20)22-2)23-18(21)13-10-15(16-8-5-9-24-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3
InChIKeyYQOYFCWICBHTGO-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.68
Rot. Bonds4

About (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate

(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 42915242) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID42915242
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOC(=O)C(C)OC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H15NO4S/c1-11(17(20)22-2)23-18(21)13-10-15(16-8-5-9-24-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3
InChIKeyYQOYFCWICBHTGO-UHFFFAOYSA-N
XLogP3.68
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate (CID 42915242) is (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate is COC(=O)C(C)OC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is YQOYFCWICBHTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-11(17(20)22-2)23-18(21)13-10-15(16-8-5-9-24-16)19-14-7-4-3-6-12(13)14/h3-11H,1-2H3.
What are the key properties of (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate?
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 42915242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).