[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C24H26FN3O — CID 33216209

IUPAC[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(Cc3cc(F)cc4cccnc34)CC2)cc1
InChIInChI=1S/C24H26FN3O/c1-17(2)18-5-7-19(8-6-18)24(29)28-12-10-27(11-13-28)16-21-15-22(25)14-20-4-3-9-26-23(20)21/h3-9,14-15,17H,10-13,16H2,1-2H3
InChIKeyXPBWVUFBSDLTSJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.46
Rot. Bonds4

About [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 33216209) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID33216209
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(Cc3cc(F)cc4cccnc34)CC2)cc1
InChIInChI=1S/C24H26FN3O/c1-17(2)18-5-7-19(8-6-18)24(29)28-12-10-27(11-13-28)16-21-15-22(25)14-20-4-3-9-26-23(20)21/h3-9,14-15,17H,10-13,16H2,1-2H3
InChIKeyXPBWVUFBSDLTSJ-UHFFFAOYSA-N
XLogP4.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 134545226
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
2-(3-fluorophenyl)-7-[[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803204
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 55853223

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 33216209) is [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(Cc3cc(F)cc4cccnc34)CC2)cc1.
What is the InChIKey of [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is XPBWVUFBSDLTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-17(2)18-5-7-19(8-6-18)24(29)28-12-10-27(11-13-28)16-21-15-22(25)14-20-4-3-9-26-23(20)21/h3-9,14-15,17H,10-13,16H2,1-2H3.
What are the key properties of [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 391.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 33216209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).