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

C32H27F2N3O7 — CID 162425154

IUPAC4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(OC2=CC=NC3=CC(OC)=C4OCCOC4C32)c(F)c1
InChIInChI=1S/C32H27F2N3O7/c1-3-41-24-11-13-37(20-7-4-18(33)5-8-20)32(39)28(24)31(38)36-19-6-9-23(21(34)16-19)44-25-10-12-35-22-17-26(40-2)29-30(27(22)25)43-15-14-42-29/h4-13,16-17,27,30H,3,14-15H2,1-2H3,(H,36,38)
InChIKeyLHXCJPQQUQLXNV-UHFFFAOYSA-N
MW603.58 g/mol
LogP4.90
Rot. Bonds8

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

4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 162425154) has the molecular formula C32H27F2N3O7 and a molecular weight of 603.58 g/mol. Its IUPAC name is 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 Name4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID162425154
Molecular FormulaC32H27F2N3O7
Molecular Weight603.58 g/mol
Exact Mass603.18
IUPAC Name4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(OC2=CC=NC3=CC(OC)=C4OCCOC4C32)c(F)c1
InChIInChI=1S/C32H27F2N3O7/c1-3-41-24-11-13-37(20-7-4-18(33)5-8-20)32(39)28(24)31(38)36-19-6-9-23(21(34)16-19)44-25-10-12-35-22-17-26(40-2)29-30(27(22)25)43-15-14-42-29/h4-13,16-17,27,30H,3,14-15H2,1-2H3,(H,36,38)
InChIKeyLHXCJPQQUQLXNV-UHFFFAOYSA-N
XLogP4.90
TPSA109.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 162425154) is 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[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(OC2=CC=NC3=CC(OC)=C4OCCOC4C32)c(F)c1.
What is the InChIKey of 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 LHXCJPQQUQLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N3O7/c1-3-41-24-11-13-37(20-7-4-18(33)5-8-20)32(39)28(24)31(38)36-19-6-9-23(21(34)16-19)44-25-10-12-35-22-17-26(40-2)29-30(27(22)25)43-15-14-42-29/h4-13,16-17,27,30H,3,14-15H2,1-2H3,(H,36,38).
What are the key properties of 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 603.58 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-fluoro-4-[(5-methoxy-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 162425154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).