N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide

C25H27FN4O4 — CID 155276585

IUPACN-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3cc(COCCN4CCOCC4)ncc23)c(F)c1)C1CC1
InChIInChI=1S/C25H27FN4O4/c26-21-13-18(29-25(31)17-1-2-17)3-4-24(21)34-23-5-6-27-22-14-19(28-15-20(22)23)16-33-12-9-30-7-10-32-11-8-30/h3-6,13-15,17H,1-2,7-12,16H2,(H,29,31)
InChIKeyNJARKQJAAVEPOO-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.76
Rot. Bonds9

About N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide

N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide (PubChem CID 155276585) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide
PubChem CID155276585
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3cc(COCCN4CCOCC4)ncc23)c(F)c1)C1CC1
InChIInChI=1S/C25H27FN4O4/c26-21-13-18(29-25(31)17-1-2-17)3-4-24(21)34-23-5-6-27-22-14-19(28-15-20(22)23)16-33-12-9-30-7-10-32-11-8-30/h3-6,13-15,17H,1-2,7-12,16H2,(H,29,31)
InChIKeyNJARKQJAAVEPOO-UHFFFAOYSA-N
XLogP3.76
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-oxopyrrolidine-3-carboxamide
CID 24864513
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846737
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812
N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 155276643
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
CID 58249580
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
4-bromo-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846738
2,5-difluoro-N-[3-fluoro-4-[7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914194
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 24866828

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide (CID 155276585) is N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Oc2ccnc3cc(COCCN4CCOCC4)ncc23)c(F)c1)C1CC1.
What is the InChIKey of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide?
The InChIKey is NJARKQJAAVEPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c26-21-13-18(29-25(31)17-1-2-17)3-4-24(21)34-23-5-6-27-22-14-19(28-15-20(22)23)16-33-12-9-30-7-10-32-11-8-30/h3-6,13-15,17H,1-2,7-12,16H2,(H,29,31).
What are the key properties of N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide?
N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxymethyl)-1,6-naphthyridin-4-yl]oxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 155276585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).