9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide

C17H14N2O4S — CID 43813774

IUPAC9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C17H14N2O4S/c20-16-11-6-14-15(23-4-3-22-14)7-13(11)18-9-12(16)17(21)19-8-10-2-1-5-24-10/h1-2,5-7,9H,3-4,8H2,(H,18,20)(H,19,21)
InChIKeyNACSAHKXVXMPGZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.29
Rot. Bonds3

About 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide

9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide (PubChem CID 43813774) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
PubChem CID43813774
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C17H14N2O4S/c20-16-11-6-14-15(23-4-3-22-14)7-13(11)18-9-12(16)17(21)19-8-10-2-1-5-24-10/h1-2,5-7,9H,3-4,8H2,(H,18,20)(H,19,21)
InChIKeyNACSAHKXVXMPGZ-UHFFFAOYSA-N
XLogP2.29
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide with MolForge

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Related Compounds

9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813773
4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
CID 10108809
3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-N-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121027396
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
CID 45497746
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 55387581
2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 5008714

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The IUPAC name of 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide (CID 43813774) is 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide.
What is the SMILES notation for 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The canonical SMILES for 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide is O=C(NCc1cccs1)c1c[nH]c2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The InChIKey is NACSAHKXVXMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-16-11-6-14-15(23-4-3-22-14)7-13(11)18-9-12(16)17(21)19-8-10-2-1-5-24-10/h1-2,5-7,9H,3-4,8H2,(H,18,20)(H,19,21).
What are the key properties of 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide is sourced from PubChem (CID 43813774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).