3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one

C27H27FN4O — CID 29256594

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1ccc2cc(CN3CCN(c4ccc(F)cc4)CC3)c(=O)n(Cc3ccccn3)c2c1
InChIInChI=1S/C27H27FN4O/c1-20-5-6-21-17-22(27(33)32(26(21)16-20)19-24-4-2-3-11-29-24)18-30-12-14-31(15-13-30)25-9-7-23(28)8-10-25/h2-11,16-17H,12-15,18-19H2,1H3
InChIKeyVNBNSSFFYGPLDC-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.21
Rot. Bonds5

About 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 29256594) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID29256594
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1ccc2cc(CN3CCN(c4ccc(F)cc4)CC3)c(=O)n(Cc3ccccn3)c2c1
InChIInChI=1S/C27H27FN4O/c1-20-5-6-21-17-22(27(33)32(26(21)16-20)19-24-4-2-3-11-29-24)18-30-12-14-31(15-13-30)25-9-7-23(28)8-10-25/h2-11,16-17H,12-15,18-19H2,1H3
InChIKeyVNBNSSFFYGPLDC-UHFFFAOYSA-N
XLogP4.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one with MolForge

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Related Compounds

7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 14098744
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29084542
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-(4-fluorophenyl)-4-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 171388409
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42398183

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 29256594) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one is Cc1ccc2cc(CN3CCN(c4ccc(F)cc4)CC3)c(=O)n(Cc3ccccn3)c2c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is VNBNSSFFYGPLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-20-5-6-21-17-22(27(33)32(26(21)16-20)19-24-4-2-3-11-29-24)18-30-12-14-31(15-13-30)25-9-7-23(28)8-10-25/h2-11,16-17H,12-15,18-19H2,1H3.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one?
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 442.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 29256594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).