N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide

C31H30F2N4O6 — CID 58249580

About N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide

N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide (PubChem CID 58249580) has the molecular formula C31H30F2N4O6 and a molecular weight of 592.60 g/mol. Its IUPAC name is N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
• PubChem CID: 58249580
• Molecular Formula: C31H30F2N4O6
• Molecular Weight: 592.60 g/mol
• Exact Mass: 592.21
• IUPAC Name: N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)NC(=O)Cc4ccccc4F)cc3F)ccnc2cc1OCCN1CCOCC1
• InChI: InChI=1S/C31H30F2N4O6/c1-40-28-18-22-25(19-29(28)42-15-12-37-10-13-41-14-11-37)34-9-8-26(22)43-27-7-6-21(17-24(27)33)35-31(39)36-30(38)16-20-4-2-3-5-23(20)32/h2-9,17-19H,10-16H2,1H3,(H2,35,36,38,39)
• InChIKey: IXYRGQYSLIAQJQ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.60
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide?

The IUPAC name of N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide (CID 58249580) is N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide.

What is the SMILES notation for N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide?

The canonical SMILES for N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide is COc1cc2c(Oc3ccc(NC(=O)NC(=O)Cc4ccccc4F)cc3F)ccnc2cc1OCCN1CCOCC1.

What is the InChIKey of N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide?

The InChIKey is IXYRGQYSLIAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N4O6/c1-40-28-18-22-25(19-29(28)42-15-12-37-10-13-41-14-11-37)34-9-8-26(22)43-27-7-6-21(17-24(27)33)35-31(39)36-30(38)16-20-4-2-3-5-23(20)32/h2-9,17-19H,10-16H2,1H3,(H2,35,36,38,39).

What are the key properties of N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide?

N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 592.60 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 58249580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).