N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide

C26H28FN5O6S — CID 67074506

About N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide

N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide (PubChem CID 67074506) has the molecular formula C26H28FN5O6S and a molecular weight of 557.60 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide
• PubChem CID: 67074506
• Molecular Formula: C26H28FN5O6S
• Molecular Weight: 557.60 g/mol
• Exact Mass: 557.17
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide
• SMILES: COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccn(C)n4)cc3F)ccnc2cc1OCCN1CCOCC1
• InChI: InChI=1S/C26H28FN5O6S/c1-31-8-6-26(29-31)39(33,34)30-18-3-4-23(20(27)15-18)38-22-5-7-28-21-17-25(24(35-2)16-19(21)22)37-14-11-32-9-12-36-13-10-32/h3-8,15-17,30H,9-14H2,1-2H3
• InChIKey: MTMNCXUUJIKVOG-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 117.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide (CID 67074506) is N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide.

What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide?

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide is COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccn(C)n4)cc3F)ccnc2cc1OCCN1CCOCC1.

What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide?

The InChIKey is MTMNCXUUJIKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O6S/c1-31-8-6-26(29-31)39(33,34)30-18-3-4-23(20(27)15-18)38-22-5-7-28-21-17-25(24(35-2)16-19(21)22)37-14-11-32-9-12-36-13-10-32/h3-8,15-17,30H,9-14H2,1-2H3.

What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide?

N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 557.60 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 10 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]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 67074506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).