[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone

C17H18N2O2S — CID 91917925

IUPAC[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C17H18N2O2S/c20-17(15-2-1-9-22-15)19-8-7-14-13(10-19)5-6-16(18-14)21-11-12-3-4-12/h1-2,5-6,9,12H,3-4,7-8,10-11H2
InChIKeyWYSWBHFVSXDVTR-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.13
Rot. Bonds4

About [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone

[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone (PubChem CID 91917925) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone
PubChem CID91917925
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C17H18N2O2S/c20-17(15-2-1-9-22-15)19-8-7-14-13(10-19)5-6-16(18-14)21-11-12-3-4-12/h1-2,5-6,9,12H,3-4,7-8,10-11H2
InChIKeyWYSWBHFVSXDVTR-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone (CID 91917925) is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCc2nc(OCC3CC3)ccc2C1.
What is the InChIKey of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone?
The InChIKey is WYSWBHFVSXDVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-17(15-2-1-9-22-15)19-8-7-14-13(10-19)5-6-16(18-14)21-11-12-3-4-12/h1-2,5-6,9,12H,3-4,7-8,10-11H2.
What are the key properties of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone?
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone has a molecular weight of 314.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91917925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).