4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C23H25N3O4 — CID 77444763

About 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 77444763) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
• PubChem CID: 77444763
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
• SMILES: COc1ccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)cc1OC(C)C
• InChI: InChI=1S/C23H25N3O4/c1-14(2)30-21-10-16(6-7-20(21)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27)
• InChIKey: KCZYPDQPPIGOMI-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The IUPAC name of 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 77444763) is 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The canonical SMILES for 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is COc1ccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)cc1OC(C)C.

What is the InChIKey of 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The InChIKey is KCZYPDQPPIGOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)30-21-10-16(6-7-20(21)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27).

What are the key properties of 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(4-methoxy-3-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 77444763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).