N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C110H98Cl3F3N12O20 — CID 163930577

About N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 163930577) has the molecular formula C110H98Cl3F3N12O20 and a molecular weight of 2071.41 g/mol. Its IUPAC name is N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 163930577
• Molecular Formula: C110H98Cl3F3N12O20
• Molecular Weight: 2071.41 g/mol
• Exact Mass: 2068.60
• IUPAC Name: N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCC#N)c4c(c23)OCCO4)cc1Cl.COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl.O=C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C38H36ClFN4O7.C37H34ClFN4O6.C35H28ClFN4O7/c1-47-30-13-18-44(25-8-6-24(40)7-9-25)38(46)34(30)37(45)42-28-11-10-26(22-27(28)39)51-31-12-14-41-29-23-32(35-36(33(29)31)50-21-20-49-35)48-19-5-17-43-15-3-2-4-16-43;38-28-22-26(11-12-29(28)41-36(44)27-6-4-18-43(37(27)45)25-9-7-24(39)8-10-25)49-31-13-14-40-30-23-32(34-35(33(30)31)48-21-20-47-34)46-19-5-17-42-15-2-1-3-16-42;1-2-44-27-12-15-41(22-7-5-21(37)6-8-22)35(43)31(27)34(42)40-25-10-9-23(19-24(25)36)48-28-11-14-39-26-20-29(45-16-4-3-13-38)32-33(30(26)28)47-18-17-46-32/h6-14,18,22-23H,2-5,15-17,19-21H2,1H3,(H,42,45);4,6-14,18,22-23H,1-3,5,15-17,19-21H2,(H,41,44);5-12,14-15,19-20H,2-4,16-18H2,1H3,(H,40,42)
• InChIKey: RIIFFRKYLFKDFT-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 351.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2071.41
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 163930577) is N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCC#N)c4c(c23)OCCO4)cc1Cl.COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl.O=C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c4c(c23)OCCO4)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O.

What is the InChIKey of N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is RIIFFRKYLFKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36ClFN4O7.C37H34ClFN4O6.C35H28ClFN4O7/c1-47-30-13-18-44(25-8-6-24(40)7-9-25)38(46)34(30)37(45)42-28-11-10-26(22-27(28)39)51-31-12-14-41-29-23-32(35-36(33(29)31)50-21-20-49-35)48-19-5-17-43-15-3-2-4-16-43;38-28-22-26(11-12-29(28)41-36(44)27-6-4-18-43(37(27)45)25-9-7-24(39)8-10-25)49-31-13-14-40-30-23-32(34-35(33(30)31)48-21-20-47-34)46-19-5-17-42-15-2-1-3-16-42;1-2-44-27-12-15-41(22-7-5-21(37)6-8-22)35(43)31(27)34(42)40-25-10-9-23(19-24(25)36)48-28-11-14-39-26-20-29(45-16-4-3-13-38)32-33(30(26)28)47-18-17-46-32/h6-14,18,22-23H,2-5,15-17,19-21H2,1H3,(H,42,45);4,6-14,18,22-23H,1-3,5,15-17,19-21H2,(H,41,44);5-12,14-15,19-20H,2-4,16-18H2,1H3,(H,40,42).

What are the key properties of N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 2071.41 g/mol, XLogP of 21.58, 32 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163930577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).