(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone

C16H18N2O2S — CID 91917833

IUPAC(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1sccc1C)C2
InChIInChI=1S/C16H18N2O2S/c1-3-20-14-5-4-12-10-18(8-6-13(12)17-14)16(19)15-11(2)7-9-21-15/h4-5,7,9H,3,6,8,10H2,1-2H3
InChIKeyOVHQCGMLSVHBHW-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.05
Rot. Bonds3

About (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone

(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 91917833) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID91917833
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1sccc1C)C2
InChIInChI=1S/C16H18N2O2S/c1-3-20-14-5-4-12-10-18(8-6-13(12)17-14)16(19)15-11(2)7-9-21-15/h4-5,7,9H,3,6,8,10H2,1-2H3
InChIKeyOVHQCGMLSVHBHW-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone (CID 91917833) is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone is CCOc1ccc2c(n1)CCN(C(=O)c1sccc1C)C2.
What is the InChIKey of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is OVHQCGMLSVHBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-20-14-5-4-12-10-18(8-6-13(12)17-14)16(19)15-11(2)7-9-21-15/h4-5,7,9H,3,6,8,10H2,1-2H3.
What are the key properties of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone?
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91917833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).