6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C18H20N2O3S — CID 71801575

IUPAC6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C18H20N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h5-8,11H,1-4,9-10,12H2,(H,19,21)
InChIKeyLPECYLVKLWBGGA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.00
Rot. Bonds2

About 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 71801575) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID71801575
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C18H20N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h5-8,11H,1-4,9-10,12H2,(H,19,21)
InChIKeyLPECYLVKLWBGGA-UHFFFAOYSA-N
XLogP2.00
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 71801575) is 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is O=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2.
What is the InChIKey of 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is LPECYLVKLWBGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h5-8,11H,1-4,9-10,12H2,(H,19,21).
What are the key properties of 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 71801575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).