6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one

C22H24N2O5 — CID 146492627

IUPAC6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one
SMILESCOc1cc2c(-c3ccc(OCCOC4CCOC4)cc3)cc(=O)n(C)c2cn1
InChIInChI=1S/C22H24N2O5/c1-24-20-13-23-21(26-2)11-19(20)18(12-22(24)25)15-3-5-16(6-4-15)28-9-10-29-17-7-8-27-14-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyNAMGFHCRYVOXNE-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.79
Rot. Bonds7

About 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one

6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one (PubChem CID 146492627) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one
PubChem CID146492627
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one
SMILESCOc1cc2c(-c3ccc(OCCOC4CCOC4)cc3)cc(=O)n(C)c2cn1
InChIInChI=1S/C22H24N2O5/c1-24-20-13-23-21(26-2)11-19(20)18(12-22(24)25)15-3-5-16(6-4-15)28-9-10-29-17-7-8-27-14-17/h3-6,11-13,17H,7-10,14H2,1-2H3
InChIKeyNAMGFHCRYVOXNE-UHFFFAOYSA-N
XLogP2.79
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one?
The IUPAC name of 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one (CID 146492627) is 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one?
The canonical SMILES for 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one is COc1cc2c(-c3ccc(OCCOC4CCOC4)cc3)cc(=O)n(C)c2cn1.
What is the InChIKey of 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one?
The InChIKey is NAMGFHCRYVOXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-24-20-13-23-21(26-2)11-19(20)18(12-22(24)25)15-3-5-16(6-4-15)28-9-10-29-17-7-8-27-14-17/h3-6,11-13,17H,7-10,14H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one?
6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one has a molecular weight of 396.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-4-[4-[2-(oxolan-3-yloxy)ethoxy]phenyl]-1,7-naphthyridin-2-one is sourced from PubChem (CID 146492627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).