2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol

C24H27FN2O5 — CID 54167934

IUPAC2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
SMILESCOc1cc2c(Oc3ccc(C)c(O)c3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H27FN2O5/c1-16-4-5-20(23(25)24(16)28)32-19-6-7-26-18-15-22(21(29-2)14-17(18)19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-15,28H,3,8-13H2,1-2H3
InChIKeyOSYNVNIPDCTNGY-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.29
Rot. Bonds8

About 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol

2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol (PubChem CID 54167934) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol.

Molecular Properties

Compound Name2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
PubChem CID54167934
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
SMILESCOc1cc2c(Oc3ccc(C)c(O)c3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H27FN2O5/c1-16-4-5-20(23(25)24(16)28)32-19-6-7-26-18-15-22(21(29-2)14-17(18)19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-15,28H,3,8-13H2,1-2H3
InChIKeyOSYNVNIPDCTNGY-UHFFFAOYSA-N
XLogP4.29
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.29
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

4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 123411897
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813680
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846737
2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136607498
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
3-benzyl-1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-hydroxyimidazol-2-one
CID 90926764
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol?
The IUPAC name of 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol (CID 54167934) is 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol.
What is the SMILES notation for 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol?
The canonical SMILES for 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol is COc1cc2c(Oc3ccc(C)c(O)c3F)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol?
The InChIKey is OSYNVNIPDCTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-16-4-5-20(23(25)24(16)28)32-19-6-7-26-18-15-22(21(29-2)14-17(18)19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-15,28H,3,8-13H2,1-2H3.
What are the key properties of 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol?
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol has a molecular weight of 442.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol is sourced from PubChem (CID 54167934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).