4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine

C25H27FN4O4 — CID 123411897

IUPAC4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(Oc3cnc4[nH]c(C)cc4c3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C25H27FN4O4/c1-16-12-18-24(26)23(15-28-25(18)29-16)34-20-4-5-27-19-14-22(21(31-2)13-17(19)20)33-9-3-6-30-7-10-32-11-8-30/h4-5,12-15H,3,6-11H2,1-2H3,(H,28,29)
InChIKeyAAWLFJDTNBNZHE-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.46
Rot. Bonds8

About 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine

4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine (PubChem CID 123411897) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
PubChem CID123411897
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(Oc3cnc4[nH]c(C)cc4c3F)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C25H27FN4O4/c1-16-12-18-24(26)23(15-28-25(18)29-16)34-20-4-5-27-19-14-22(21(31-2)13-17(19)20)33-9-3-6-30-7-10-32-11-8-30/h4-5,12-15H,3,6-11H2,1-2H3,(H,28,29)
InChIKeyAAWLFJDTNBNZHE-UHFFFAOYSA-N
XLogP4.46
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.46
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

2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
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
4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
CID 144689103
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-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813680
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-N'-[2,5-difluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71285998
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
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 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine (CID 123411897) is 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine is COc1cc2c(Oc3cnc4[nH]c(C)cc4c3F)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine?
The InChIKey is AAWLFJDTNBNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-16-12-18-24(26)23(15-28-25(18)29-16)34-20-4-5-27-19-14-22(21(31-2)13-17(19)20)33-9-3-6-30-7-10-32-11-8-30/h4-5,12-15H,3,6-11H2,1-2H3,(H,28,29).
What are the key properties of 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine?
4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine has a molecular weight of 466.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine is sourced from PubChem (CID 123411897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).