8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C20H21FN4O — CID 172553427

IUPAC8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCc1cc2ccc(CN3CCN(c4ccccn4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C20H21FN4O/c1-14-12-15-5-6-16(18(21)19(15)23-20(14)26)13-24-8-10-25(11-9-24)17-4-2-3-7-22-17/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyADQXNXBGWDXFML-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.69
Rot. Bonds3

About 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one

8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 172553427) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID172553427
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCc1cc2ccc(CN3CCN(c4ccccn4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C20H21FN4O/c1-14-12-15-5-6-16(18(21)19(15)23-20(14)26)13-24-8-10-25(11-9-24)17-4-2-3-7-22-17/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyADQXNXBGWDXFML-UHFFFAOYSA-N
XLogP2.69
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
CID 168856762
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
3-chloro-4-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 172553429
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 172553427) is 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is Cc1cc2ccc(CN3CCN(c4ccccn4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is ADQXNXBGWDXFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-12-15-5-6-16(18(21)19(15)23-20(14)26)13-24-8-10-25(11-9-24)17-4-2-3-7-22-17/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 352.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 172553427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).