7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one

C19H21FN4O2 — CID 167866692

IUPAC7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1
InChIInChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25)
InChIKeyZUWXAECQASSABS-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.14
Rot. Bonds4

About 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 167866692) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID167866692
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1
InChIInChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25)
InChIKeyZUWXAECQASSABS-UHFFFAOYSA-N
XLogP3.14
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90682477
US11104680, Example 15
CID 131984840
4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682475
3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 56779375
US20250122174, Example 261
CID 168988590
US20250122174, Example 273
CID 170091218
2-(7-((2S,5R)-2,5-diethyl-4-(1-(4-fluoro-2-(methylamino)phenyl)ethyl)piperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172636967
(e)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1h-pyrazol-4-yl) acrylamide
CID 168477985
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 16671394
7-fluoro-1-[2-(1-piperidinyl)ethyl]-3-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)-2(1H)-quinolinone
CID 26397766
3-[[2-(3,5-Dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42274290

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one (CID 167866692) is 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one is Cc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1.
What is the InChIKey of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is ZUWXAECQASSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25).
What are the key properties of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167866692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).