2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one

C18H16N2O2 — CID 54585487

IUPAC2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C)C3=O)c1
InChIInChI=1S/C18H16N2O2/c1-20-11-10-17-16(18(20)21)9-8-14(19-17)7-6-13-4-3-5-15(12-13)22-2/h3-5,8-9,12H,10-11H2,1-2H3
InChIKeySUNLPMUQEHZMDD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.12
Rot. Bonds1

About 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one

2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54585487) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54585487
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C)C3=O)c1
InChIInChI=1S/C18H16N2O2/c1-20-11-10-17-16(18(20)21)9-8-14(19-17)7-6-13-4-3-5-15(12-13)22-2/h3-5,8-9,12H,10-11H2,1-2H3
InChIKeySUNLPMUQEHZMDD-UHFFFAOYSA-N
XLogP2.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one (CID 54585487) is 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one is COc1cccc(C#Cc2ccc3c(n2)CCN(C)C3=O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is SUNLPMUQEHZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-11-10-17-16(18(20)21)9-8-14(19-17)7-6-13-4-3-5-15(12-13)22-2/h3-5,8-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one?
2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 292.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54585487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).