2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione

C13H12N2O2S — CID 141472520

IUPAC2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione
SMILESNc1cc(=O)c2c(n1-c1cccs1)CCCC2=O
InChIInChI=1S/C13H12N2O2S/c14-11-7-10(17)13-8(3-1-4-9(13)16)15(11)12-5-2-6-18-12/h2,5-7H,1,3-4,14H2
InChIKeyIAODSCZXMZFWCJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.00
Rot. Bonds1

About 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione

2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione (PubChem CID 141472520) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione.

Molecular Properties

Compound Name2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione
PubChem CID141472520
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione
SMILESNc1cc(=O)c2c(n1-c1cccs1)CCCC2=O
InChIInChI=1S/C13H12N2O2S/c14-11-7-10(17)13-8(3-1-4-9(13)16)15(11)12-5-2-6-18-12/h2,5-7H,1,3-4,14H2
InChIKeyIAODSCZXMZFWCJ-UHFFFAOYSA-N
XLogP2.00
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione?
The IUPAC name of 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione (CID 141472520) is 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione.
What is the SMILES notation for 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione?
The canonical SMILES for 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione is Nc1cc(=O)c2c(n1-c1cccs1)CCCC2=O.
What is the InChIKey of 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione?
The InChIKey is IAODSCZXMZFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-11-7-10(17)13-8(3-1-4-9(13)16)15(11)12-5-2-6-18-12/h2,5-7H,1,3-4,14H2.
What are the key properties of 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione?
2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione has a molecular weight of 260.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiophen-2-yl-7,8-dihydro-6H-quinoline-4,5-dione is sourced from PubChem (CID 141472520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).