[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone

C21H20FN3O2 — CID 56900073

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-5-1-3-15(13-17)14-24-9-11-25(12-10-24)21(27)18-7-6-16-4-2-8-23-19(16)20(18)26/h1-8,13,26H,9-12,14H2
InChIKeyQHPHMZVTOVWZKY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.04
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone (PubChem CID 56900073) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
PubChem CID56900073
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-17-5-1-3-15(13-17)14-24-9-11-25(12-10-24)21(27)18-7-6-16-4-2-8-23-19(16)20(18)26/h1-8,13,26H,9-12,14H2
InChIKeyQHPHMZVTOVWZKY-UHFFFAOYSA-N
XLogP3.04
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-hydroxyquinolin-7-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 167791873
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70730781
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
N-[4-[4-[(2,4-difluorophenyl)methyl]piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 67505005
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279228
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 95709384

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone (CID 56900073) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone is O=C(c1ccc2cccnc2c1O)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The InChIKey is QHPHMZVTOVWZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-5-1-3-15(13-17)14-24-9-11-25(12-10-24)21(27)18-7-6-16-4-2-8-23-19(16)20(18)26/h1-8,13,26H,9-12,14H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone is sourced from PubChem (CID 56900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).