7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C17H17N3S — CID 24731657

IUPAC7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESc1csc(CCN2CCc3nc4ncccc4cc3C2)c1
InChIInChI=1S/C17H17N3S/c1-3-13-11-14-12-20(8-5-15-4-2-10-21-15)9-6-16(14)19-17(13)18-7-1/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyRSDVOKJPLFWLQX-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.29
Rot. Bonds3

About 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 24731657) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID24731657
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESc1csc(CCN2CCc3nc4ncccc4cc3C2)c1
InChIInChI=1S/C17H17N3S/c1-3-13-11-14-12-20(8-5-15-4-2-10-21-15)9-6-16(14)19-17(13)18-7-1/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyRSDVOKJPLFWLQX-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 24731657) is 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is c1csc(CCN2CCc3nc4ncccc4cc3C2)c1.
What is the InChIKey of 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is RSDVOKJPLFWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-13-11-14-12-20(8-5-15-4-2-10-21-15)9-6-16(14)19-17(13)18-7-1/h1-4,7,10-11H,5-6,8-9,12H2.
What are the key properties of 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 295.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 24731657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).