4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C20H23FN4O2 — CID 56746981

IUPAC4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)C2CC(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C20H23FN4O2/c1-2-12-11-22-24-19(12)13-5-7-25(8-6-13)20(27)16-10-18(26)23-17-4-3-14(21)9-15(16)17/h3-4,9,11,13,16H,2,5-8,10H2,1H3,(H,22,24)(H,23,26)
InChIKeyRGQSMPLPUJOHTH-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.94
Rot. Bonds3

About 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 56746981) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID56746981
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)C2CC(=O)Nc3ccc(F)cc32)CC1
InChIInChI=1S/C20H23FN4O2/c1-2-12-11-22-24-19(12)13-5-7-25(8-6-13)20(27)16-10-18(26)23-17-4-3-14(21)9-15(16)17/h3-4,9,11,13,16H,2,5-8,10H2,1H3,(H,22,24)(H,23,26)
InChIKeyRGQSMPLPUJOHTH-UHFFFAOYSA-N
XLogP2.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305407
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305412
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305425
6-[4-[(1-ethylsulfonylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305447
1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 24819654
1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 162644837
1-[(3-acetylphenyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 24791518
N-(4-fluoro-2-methylphenyl)-3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 45181199
N-(2-fluorophenyl)-3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 45227718
1-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084769
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 56746981) is 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is CCc1cn[nH]c1C1CCN(C(=O)C2CC(=O)Nc3ccc(F)cc32)CC1.
What is the InChIKey of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RGQSMPLPUJOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-12-11-22-24-19(12)13-5-7-25(8-6-13)20(27)16-10-18(26)23-17-4-3-14(21)9-15(16)17/h3-4,9,11,13,16H,2,5-8,10H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 56746981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).