N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide

C32H29FN4O6 — CID 56644082

About N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 56644082) has the molecular formula C32H29FN4O6 and a molecular weight of 584.60 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
• PubChem CID: 56644082
• Molecular Formula: C32H29FN4O6
• Molecular Weight: 584.60 g/mol
• Exact Mass: 584.21
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c[nH]c5ccccc5c4=O)cc3F)ccnc2cc1OCCN1CCOCC1
• InChI: InChI=1S/C32H29FN4O6/c1-40-29-17-22-26(18-30(29)42-15-12-37-10-13-41-14-11-37)34-9-8-27(22)43-28-7-6-20(16-24(28)33)36-32(39)23-19-35-25-5-3-2-4-21(25)31(23)38/h2-9,16-19H,10-15H2,1H3,(H,35,38)(H,36,39)
• InChIKey: NLZSYANNDGBNEW-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 115.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.60
LogP ≤ 5	4.98
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]-4-oxo-1H-quinoline-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 56644082) is N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide.

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

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c[nH]c5ccccc5c4=O)cc3F)ccnc2cc1OCCN1CCOCC1.

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

The InChIKey is NLZSYANNDGBNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O6/c1-40-29-17-22-26(18-30(29)42-15-12-37-10-13-41-14-11-37)34-9-8-27(22)43-28-7-6-20(16-24(28)33)36-32(39)23-19-35-25-5-3-2-4-21(25)31(23)38/h2-9,16-19H,10-15H2,1H3,(H,35,38)(H,36,39).

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

N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 584.60 g/mol, XLogP of 4.98, 9 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]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56644082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).