6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one

C22H21FN2O3 — CID 166251134

IUPAC6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2cc(F)ccc2[nH]c1=O)N1CCCC(CO)(c2ccccc2)C1
InChIInChI=1S/C22H21FN2O3/c23-17-7-8-19-15(11-17)12-18(20(27)24-19)21(28)25-10-4-9-22(13-25,14-26)16-5-2-1-3-6-16/h1-3,5-8,11-12,26H,4,9-10,13-14H2,(H,24,27)
InChIKeyWKWCBQNDWZCRGX-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.83
Rot. Bonds3

About 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one

6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 166251134) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID166251134
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2cc(F)ccc2[nH]c1=O)N1CCCC(CO)(c2ccccc2)C1
InChIInChI=1S/C22H21FN2O3/c23-17-7-8-19-15(11-17)12-18(20(27)24-19)21(28)25-10-4-9-22(13-25,14-26)16-5-2-1-3-6-16/h1-3,5-8,11-12,26H,4,9-10,13-14H2,(H,24,27)
InChIKeyWKWCBQNDWZCRGX-UHFFFAOYSA-N
XLogP2.83
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-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 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one (CID 166251134) is 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2cc(F)ccc2[nH]c1=O)N1CCCC(CO)(c2ccccc2)C1.
What is the InChIKey of 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is WKWCBQNDWZCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-17-7-8-19-15(11-17)12-18(20(27)24-19)21(28)25-10-4-9-22(13-25,14-26)16-5-2-1-3-6-16/h1-3,5-8,11-12,26H,4,9-10,13-14H2,(H,24,27).
What are the key properties of 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one?
6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 380.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 166251134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).