2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C12H14N2OS — CID 67147041

IUPAC2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCSc1cc(C2CC2)nc2c1C(=O)NCC2
InChIInChI=1S/C12H14N2OS/c1-16-10-6-9(7-2-3-7)14-8-4-5-13-12(15)11(8)10/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeySJHHWUUCTJLYLZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 67147041) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID67147041
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCSc1cc(C2CC2)nc2c1C(=O)NCC2
InChIInChI=1S/C12H14N2OS/c1-16-10-6-9(7-2-3-7)14-8-4-5-13-12(15)11(8)10/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeySJHHWUUCTJLYLZ-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 67147041) is 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is CSc1cc(C2CC2)nc2c1C(=O)NCC2.
What is the InChIKey of 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is SJHHWUUCTJLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-16-10-6-9(7-2-3-7)14-8-4-5-13-12(15)11(8)10/h6-7H,2-5H2,1H3,(H,13,15).
What are the key properties of 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 234.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 67147041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).