2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide

C18H14N4O3S — CID 91632376

IUPAC2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H14N4O3S/c23-15-9-12(11-3-1-2-4-13(11)21-15)17(24)19-6-7-22-10-20-14-5-8-26-16(14)18(22)25/h1-5,8-10H,6-7H2,(H,19,24)(H,21,23)
InChIKeyAWNRSZJAPVGINL-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.73
Rot. Bonds4

About 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide

2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 91632376) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide
PubChem CID91632376
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H14N4O3S/c23-15-9-12(11-3-1-2-4-13(11)21-15)17(24)19-6-7-22-10-20-14-5-8-26-16(14)18(22)25/h1-5,8-10H,6-7H2,(H,19,24)(H,21,23)
InChIKeyAWNRSZJAPVGINL-UHFFFAOYSA-N
XLogP1.73
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide (CID 91632376) is 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is AWNRSZJAPVGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-15-9-12(11-3-1-2-4-13(11)21-15)17(24)19-6-7-22-10-20-14-5-8-26-16(14)18(22)25/h1-5,8-10H,6-7H2,(H,19,24)(H,21,23).
What are the key properties of 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91632376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).