6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

C18H15N3O4 — CID 56708200

IUPAC6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCOc1ccccc1C(O)Cn1ccc2[nH]c(=O)c(C#N)cc2c1=O
InChIInChI=1S/C18H15N3O4/c1-25-16-5-3-2-4-12(16)15(22)10-21-7-6-14-13(18(21)24)8-11(9-19)17(23)20-14/h2-8,15,22H,10H2,1H3,(H,20,23)
InChIKeyYEAXJVUIDWUGTF-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.30
Rot. Bonds4

About 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56708200) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56708200
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCOc1ccccc1C(O)Cn1ccc2[nH]c(=O)c(C#N)cc2c1=O
InChIInChI=1S/C18H15N3O4/c1-25-16-5-3-2-4-12(16)15(22)10-21-7-6-14-13(18(21)24)8-11(9-19)17(23)20-14/h2-8,15,22H,10H2,1H3,(H,20,23)
InChIKeyYEAXJVUIDWUGTF-UHFFFAOYSA-N
XLogP1.30
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56708200) is 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is COc1ccccc1C(O)Cn1ccc2[nH]c(=O)c(C#N)cc2c1=O.
What is the InChIKey of 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is YEAXJVUIDWUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-16-5-3-2-4-12(16)15(22)10-21-7-6-14-13(18(21)24)8-11(9-19)17(23)20-14/h2-8,15,22H,10H2,1H3,(H,20,23).
What are the key properties of 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 337.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56708200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).