4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline

C24H27FN2O3 — CID 141064108

IUPAC4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
SMILESCOc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C24H27FN2O3/c1-28-23-16-18-20(17-24(23)29-15-7-14-27-12-5-2-6-13-27)26-11-10-21(18)30-22-9-4-3-8-19(22)25/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3
InChIKeyRQNNICQVIGNPLH-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.43
Rot. Bonds8

About 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline

4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline (PubChem CID 141064108) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
PubChem CID141064108
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
SMILESCOc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C24H27FN2O3/c1-28-23-16-18-20(17-24(23)29-15-7-14-27-12-5-2-6-13-27)26-11-10-21(18)30-22-9-4-3-8-19(22)25/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3
InChIKeyRQNNICQVIGNPLH-UHFFFAOYSA-N
XLogP5.43
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline
CID 141291334
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
2-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914085
1-amino-3-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]thiourea
CID 118468080
1-benzylidene-3-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyanilino]urea
CID 172824198
2-[[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]sulfamoyl]-N-methylbenzeneamine oxide
CID 163866032
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-(2-methylphenyl)pyridine-2-carboxamide
CID 73355490
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-phenyltriazole-4-carboxamide
CID 127051406
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline?
The IUPAC name of 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline (CID 141064108) is 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline?
The canonical SMILES for 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline is COc1cc2c(Oc3ccccc3F)ccnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline?
The InChIKey is RQNNICQVIGNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-28-23-16-18-20(17-24(23)29-15-7-14-27-12-5-2-6-13-27)26-11-10-21(18)30-22-9-4-3-8-19(22)25/h3-4,8-11,16-17H,2,5-7,12-15H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline?
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline has a molecular weight of 410.49 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline is sourced from PubChem (CID 141064108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).