2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol

C20H21N3O2 — CID 82107926

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
SMILESCOc1ccc(N2CCN(c3ccc4cccc(O)c4n3)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19-10-5-15-3-2-4-18(24)20(15)21-19/h2-10,24H,11-14H2,1H3
InChIKeyLYCIVWXJUGHMRA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol

2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol (PubChem CID 82107926) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
PubChem CID82107926
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
SMILESCOc1ccc(N2CCN(c3ccc4cccc(O)c4n3)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19-10-5-15-3-2-4-18(24)20(15)21-19/h2-10,24H,11-14H2,1H3
InChIKeyLYCIVWXJUGHMRA-UHFFFAOYSA-N
XLogP3.28
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
1-(4-methoxyphenyl)piperidine
CID 10130315
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957
1-(4-fluorophenyl)-4-(6-methoxy-2-pyridinyl)piperazine
CID 155976125
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
(2-hydroxy-3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanethione
CID 135715508

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol (CID 82107926) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol is COc1ccc(N2CCN(c3ccc4cccc(O)c4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol?
The InChIKey is LYCIVWXJUGHMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19-10-5-15-3-2-4-18(24)20(15)21-19/h2-10,24H,11-14H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol?
2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol has a molecular weight of 335.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol is sourced from PubChem (CID 82107926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).