7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

C26H29FN4O5 — CID 25160349

About 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (PubChem CID 25160349) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
• PubChem CID: 25160349
• Molecular Formula: C26H29FN4O5
• Molecular Weight: 496.54 g/mol
• Exact Mass: 496.21
• IUPAC Name: 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
• SMILES: COc1ccc2ccc(=O)n(CCN3CCC(N(C)C(=O)c4nc5c(cc4F)OCCO5)CC3)c2c1
• InChI: InChI=1S/C26H29FN4O5/c1-29(26(33)24-20(27)16-22-25(28-24)36-14-13-35-22)18-7-9-30(10-8-18)11-12-31-21-15-19(34-2)5-3-17(21)4-6-23(31)32/h3-6,15-16,18H,7-14H2,1-2H3
• InChIKey: VDROTPGNTBZRQQ-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 86.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.54
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?

The IUPAC name of 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (CID 25160349) is 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.

What is the SMILES notation for 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?

The canonical SMILES for 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is COc1ccc2ccc(=O)n(CCN3CCC(N(C)C(=O)c4nc5c(cc4F)OCCO5)CC3)c2c1.

What is the InChIKey of 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?

The InChIKey is VDROTPGNTBZRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5/c1-29(26(33)24-20(27)16-22-25(28-24)36-14-13-35-22)18-7-9-30(10-8-18)11-12-31-21-15-19(34-2)5-3-17(21)4-6-23(31)32/h3-6,15-16,18H,7-14H2,1-2H3.

What are the key properties of 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?

7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 25160349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).