(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

C21H20FN3O — CID 108765021

IUPAC(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C21H20FN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyYUDQXFHKXBQDQI-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.64
Rot. Bonds2

About (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108765021) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108765021
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C21H20FN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyYUDQXFHKXBQDQI-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096210
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810889
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 59706404
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 121065286
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 46045248

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108765021) is (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc2ccccc12.
What is the InChIKey of (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is YUDQXFHKXBQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-14-20(23-19-9-5-3-6-16(15)19)24-10-12-25(13-11-24)21(26)17-7-2-4-8-18(17)22/h2-9,14H,10-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108765021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).