N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide

C37H35F2N5O6 — CID 141375484

About N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 141375484) has the molecular formula C37H35F2N5O6 and a molecular weight of 683.71 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 141375484
• Molecular Formula: C37H35F2N5O6
• Molecular Weight: 683.71 g/mol
• Exact Mass: 683.26
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CNC(=O)CN1CCC(COc2cc3nccc(Oc4ccc(NC(=O)c5cccn(-c6ccccc6F)c5=O)cc4F)c3cc2OC)CC1
• InChI: InChI=1S/C37H35F2N5O6/c1-40-35(45)21-43-16-12-23(13-17-43)22-49-34-20-29-26(19-33(34)48-2)31(11-14-41-29)50-32-10-9-24(18-28(32)39)42-36(46)25-6-5-15-44(37(25)47)30-8-4-3-7-27(30)38/h3-11,14-15,18-20,23H,12-13,16-17,21-22H2,1-2H3,(H,40,45)(H,42,46)
• InChIKey: FJRQPDIWVHZHOL-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 124.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.71
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 141375484) is N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide is CNC(=O)CN1CCC(COc2cc3nccc(Oc4ccc(NC(=O)c5cccn(-c6ccccc6F)c5=O)cc4F)c3cc2OC)CC1.

What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is FJRQPDIWVHZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35F2N5O6/c1-40-35(45)21-43-16-12-23(13-17-43)22-49-34-20-29-26(19-33(34)48-2)31(11-14-41-29)50-32-10-9-24(18-28(32)39)42-36(46)25-6-5-15-44(37(25)47)30-8-4-3-7-27(30)38/h3-11,14-15,18-20,23H,12-13,16-17,21-22H2,1-2H3,(H,40,45)(H,42,46).

What are the key properties of N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 683.71 g/mol, XLogP of 5.55, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 141375484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).