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

C18H16N2O — CID 53248878

IUPAC6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1ccccc1C#Cc1ccc2c(n1)CCN(C)C2=O
InChIInChI=1S/C18H16N2O/c1-13-5-3-4-6-14(13)7-8-15-9-10-16-17(19-15)11-12-20(2)18(16)21/h3-6,9-10H,11-12H2,1-2H3
InChIKeyLTBIKYYCYMXUCS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.42
Rot. Bonds

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

6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 53248878) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID53248878
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1ccccc1C#Cc1ccc2c(n1)CCN(C)C2=O
InChIInChI=1S/C18H16N2O/c1-13-5-3-4-6-14(13)7-8-15-9-10-16-17(19-15)11-12-20(2)18(16)21/h3-6,9-10H,11-12H2,1-2H3
InChIKeyLTBIKYYCYMXUCS-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 53248878) is 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cc1ccccc1C#Cc1ccc2c(n1)CCN(C)C2=O.
What is the InChIKey of 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is LTBIKYYCYMXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-5-3-4-6-14(13)7-8-15-9-10-16-17(19-15)11-12-20(2)18(16)21/h3-6,9-10H,11-12H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 276.34 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 53248878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).