2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline

C21H22FN3O — CID 1365048

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C21H22FN3O/c1-15-14-20(23-21-18(15)4-3-5-19(21)26-2)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h3-9,14H,10-13H2,1-2H3
InChIKeyGXGIQWQQRIHTSS-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.02
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline

2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline (PubChem CID 1365048) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
PubChem CID1365048
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc12
InChIInChI=1S/C21H22FN3O/c1-15-14-20(23-21-18(15)4-3-5-19(21)26-2)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h3-9,14H,10-13H2,1-2H3
InChIKeyGXGIQWQQRIHTSS-UHFFFAOYSA-N
XLogP4.02
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline 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

8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
CID 6456448
(E)-3-(4-fluorophenyl)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108764414
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108810475
(3aR,5R,6R,7aS)-6-(4-fluorophenoxy)-2-(8-methoxy-4-methylquinolin-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172671811
(2S,6S)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271146
(2R,6R)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271148
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline (CID 1365048) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline is COc1cccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline?
The InChIKey is GXGIQWQQRIHTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15-14-20(23-21-18(15)4-3-5-19(21)26-2)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline?
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline has a molecular weight of 351.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline is sourced from PubChem (CID 1365048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).