6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one

C21H20FN3O3 — CID 56752384

IUPAC6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)nc1
InChIInChI=1S/C21H20FN3O3/c1-13-2-5-18(23-12-13)21(28)6-8-25(9-7-21)20(27)16-11-19(26)24-17-4-3-14(22)10-15(16)17/h2-5,10-12,28H,6-9H2,1H3,(H,24,26)
InChIKeyVRBKGKZGQIVIPX-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.49
Rot. Bonds2

About 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one

6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 56752384) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID56752384
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)nc1
InChIInChI=1S/C21H20FN3O3/c1-13-2-5-18(23-12-13)21(28)6-8-25(9-7-21)20(27)16-11-19(26)24-17-4-3-14(22)10-15(16)17/h2-5,10-12,28H,6-9H2,1H3,(H,24,26)
InChIKeyVRBKGKZGQIVIPX-UHFFFAOYSA-N
XLogP2.49
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-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-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 56752384) is 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one is Cc1ccc(C2(O)CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)nc1.
What is the InChIKey of 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is VRBKGKZGQIVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-2-5-18(23-12-13)21(28)6-8-25(9-7-21)20(27)16-11-19(26)24-17-4-3-14(22)10-15(16)17/h2-5,10-12,28H,6-9H2,1H3,(H,24,26).
What are the key properties of 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 56752384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).