6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione

C18H20N2O2S — CID 118539748

IUPAC6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2[nH]c3sccc3c(=O)c2c(=O)n1C1CCCC1
InChIInChI=1S/C18H20N2O2S/c1-10(2)14-9-13-15(16(21)12-7-8-23-17(12)19-13)18(22)20(14)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,21)
InChIKeyRDZMLWQHQADNPP-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.14
Rot. Bonds2

About 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione

6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione (PubChem CID 118539748) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione.

Molecular Properties

Compound Name6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
PubChem CID118539748
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2[nH]c3sccc3c(=O)c2c(=O)n1C1CCCC1
InChIInChI=1S/C18H20N2O2S/c1-10(2)14-9-13-15(16(21)12-7-8-23-17(12)19-13)18(22)20(14)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,21)
InChIKeyRDZMLWQHQADNPP-UHFFFAOYSA-N
XLogP4.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The IUPAC name of 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione (CID 118539748) is 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione.
What is the SMILES notation for 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The canonical SMILES for 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione is CC(C)c1cc2[nH]c3sccc3c(=O)c2c(=O)n1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The InChIKey is RDZMLWQHQADNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-10(2)14-9-13-15(16(21)12-7-8-23-17(12)19-13)18(22)20(14)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione has a molecular weight of 328.44 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione is sourced from PubChem (CID 118539748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).