1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one

C23H31FN2O — CID 159541442

IUPAC1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one
SMILESC=C1C(=O)Cc2c(F)cccc2N1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C23H31FN2O/c1-17-23(27)16-20-21(24)10-7-11-22(20)26(17)19-12-14-25(15-13-19)18-8-5-3-2-4-6-9-18/h7,10-11,18-19H,1-6,8-9,12-16H2
InChIKeyCMJXKLDBXUVPOV-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.85
Rot. Bonds2

About 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one

1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one (PubChem CID 159541442) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one
PubChem CID159541442
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one
SMILESC=C1C(=O)Cc2c(F)cccc2N1C1CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C23H31FN2O/c1-17-23(27)16-20-21(24)10-7-11-22(20)26(17)19-12-14-25(15-13-19)18-8-5-3-2-4-6-9-18/h7,10-11,18-19H,1-6,8-9,12-16H2
InChIKeyCMJXKLDBXUVPOV-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one (CID 159541442) is 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one is C=C1C(=O)Cc2c(F)cccc2N1C1CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one?
The InChIKey is CMJXKLDBXUVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-17-23(27)16-20-21(24)10-7-11-22(20)26(17)19-12-14-25(15-13-19)18-8-5-3-2-4-6-9-18/h7,10-11,18-19H,1-6,8-9,12-16H2.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one?
1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one has a molecular weight of 370.51 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-5-fluoro-2-methylidene-4H-quinolin-3-one is sourced from PubChem (CID 159541442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).