N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C36H34F2N4O7 — CID 162425151

IUPACN-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC2=CC=NC3=CC(OCCCN4CCOCC4)=C4OCCOC4C32)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C36H34F2N4O7/c37-23-4-7-25(8-5-23)42-13-1-3-26(36(42)44)35(43)40-24-6-9-29(27(38)21-24)49-30-10-11-39-28-22-31(33-34(32(28)30)48-20-19-47-33)46-16-2-12-41-14-17-45-18-15-41/h1,3-11,13,21-22,32,34H,2,12,14-20H2,(H,40,43)
InChIKeyUTPIUDBJCSOSKD-UHFFFAOYSA-N
MW672.69 g/mol
LogP4.59
Rot. Bonds10

About N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 162425151) has the molecular formula C36H34F2N4O7 and a molecular weight of 672.69 g/mol. Its IUPAC name is N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID162425151
Molecular FormulaC36H34F2N4O7
Molecular Weight672.69 g/mol
Exact Mass672.24
IUPAC NameN-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC2=CC=NC3=CC(OCCCN4CCOCC4)=C4OCCOC4C32)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C36H34F2N4O7/c37-23-4-7-25(8-5-23)42-13-1-3-26(36(42)44)35(43)40-24-6-9-29(27(38)21-24)49-30-10-11-39-28-22-31(33-34(32(28)30)48-20-19-47-33)46-16-2-12-41-14-17-45-18-15-41/h1,3-11,13,21-22,32,34H,2,12,14-20H2,(H,40,43)
InChIKeyUTPIUDBJCSOSKD-UHFFFAOYSA-N
XLogP4.59
TPSA112.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.69
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 162425151) is N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[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-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(OC2=CC=NC3=CC(OCCCN4CCOCC4)=C4OCCOC4C32)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is UTPIUDBJCSOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N4O7/c37-23-4-7-25(8-5-23)42-13-1-3-26(36(42)44)35(43)40-24-6-9-29(27(38)21-24)49-30-10-11-39-28-22-31(33-34(32(28)30)48-20-19-47-33)46-16-2-12-41-14-17-45-18-15-41/h1,3-11,13,21-22,32,34H,2,12,14-20H2,(H,40,43).
What are the key properties of N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 672.69 g/mol, XLogP of 4.59, 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-[[5-(3-morpholin-4-ylpropoxy)-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162425151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).