4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine

C22H19FN2O — CID 19063736

IUPAC4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine
SMILESFc1cccc(-c2cnc3cc(C#CCN4CCOCC4)ccc3c2)c1
InChIInChI=1S/C22H19FN2O/c23-21-5-1-4-18(15-21)20-14-19-7-6-17(13-22(19)24-16-20)3-2-8-25-9-11-26-12-10-25/h1,4-7,13-16H,8-12H2
InChIKeyDFCKKIDLRIVNHR-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.72
Rot. Bonds2

About 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine

4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine (PubChem CID 19063736) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine
PubChem CID19063736
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine
SMILESFc1cccc(-c2cnc3cc(C#CCN4CCOCC4)ccc3c2)c1
InChIInChI=1S/C22H19FN2O/c23-21-5-1-4-18(15-21)20-14-19-7-6-17(13-22(19)24-16-20)3-2-8-25-9-11-26-12-10-25/h1,4-7,13-16H,8-12H2
InChIKeyDFCKKIDLRIVNHR-UHFFFAOYSA-N
XLogP3.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine (CID 19063736) is 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine is Fc1cccc(-c2cnc3cc(C#CCN4CCOCC4)ccc3c2)c1.
What is the InChIKey of 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine?
The InChIKey is DFCKKIDLRIVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-21-5-1-4-18(15-21)20-14-19-7-6-17(13-22(19)24-16-20)3-2-8-25-9-11-26-12-10-25/h1,4-7,13-16H,8-12H2.
What are the key properties of 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine?
4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-fluorophenyl)quinolin-7-yl]prop-2-ynyl]morpholine is sourced from PubChem (CID 19063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).