2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride

C20H21ClFN3O — CID 135544635

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12.Cl
InChIInChI=1S/C20H20FN3O.ClH/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21;/h2-7,12-13,25H,8-11H2,1H3;1H
InChIKeyMMWYJEWJOJNLPA-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.14
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride (PubChem CID 135544635) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride
PubChem CID135544635
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12.Cl
InChIInChI=1S/C20H20FN3O.ClH/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21;/h2-7,12-13,25H,8-11H2,1H3;1H
InChIKeyMMWYJEWJOJNLPA-UHFFFAOYSA-N
XLogP4.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride (CID 135544635) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride is Cc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12.Cl.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride?
The InChIKey is MMWYJEWJOJNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O.ClH/c1-14-12-20(22-18-13-15(25)6-7-16(14)18)24-10-8-23(9-11-24)19-5-3-2-4-17(19)21;/h2-7,12-13,25H,8-11H2,1H3;1H.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol;hydrochloride is sourced from PubChem (CID 135544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).