4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one

C26H26FN3O — CID 18847374

IUPAC4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C26H26FN3O/c27-19-12-14-23-21(17-19)20(8-6-10-25(31)30-15-4-1-5-16-30)26(29-23)24-13-11-18-7-2-3-9-22(18)28-24/h2-3,7,9,11-14,17,29H,1,4-6,8,10,15-16H2
InChIKeyVWVOXVJOJSHGKZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.86
Rot. Bonds5

About 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one (PubChem CID 18847374) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one
PubChem CID18847374
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C26H26FN3O/c27-19-12-14-23-21(17-19)20(8-6-10-25(31)30-15-4-1-5-16-30)26(29-23)24-13-11-18-7-2-3-9-22(18)28-24/h2-3,7,9,11-14,17,29H,1,4-6,8,10,15-16H2
InChIKeyVWVOXVJOJSHGKZ-UHFFFAOYSA-N
XLogP5.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one (CID 18847374) is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)N1CCCCC1.
What is the InChIKey of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one?
The InChIKey is VWVOXVJOJSHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c27-19-12-14-23-21(17-19)20(8-6-10-25(31)30-15-4-1-5-16-30)26(29-23)24-13-11-18-7-2-3-9-22(18)28-24/h2-3,7,9,11-14,17,29H,1,4-6,8,10,15-16H2.
What are the key properties of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one?
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one has a molecular weight of 415.51 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 18847374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).