2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol

C21H23N3O2 — CID 5307530

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccc(O)cc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-13-21(22-20-14-17(25)5-8-19(15)20)24-11-9-23(10-12-24)16-3-6-18(26-2)7-4-16/h3-8,13-14,25H,9-12H2,1-2H3
InChIKeyKKKQJQHYCBKAGK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.58
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol (PubChem CID 5307530) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol
PubChem CID5307530
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccc(O)cc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-13-21(22-20-14-17(25)5-8-19(15)20)24-11-9-23(10-12-24)16-3-6-18(26-2)7-4-16/h3-8,13-14,25H,9-12H2,1-2H3
InChIKeyKKKQJQHYCBKAGK-UHFFFAOYSA-N
XLogP3.58
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol (CID 5307530) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol is COc1ccc(N2CCN(c3cc(C)c4ccc(O)cc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
The InChIKey is KKKQJQHYCBKAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-13-21(22-20-14-17(25)5-8-19(15)20)24-11-9-23(10-12-24)16-3-6-18(26-2)7-4-16/h3-8,13-14,25H,9-12H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-7-ol has a molecular weight of 349.43 g/mol, XLogP of 3.58, 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]-4-methylquinolin-7-ol is sourced from PubChem (CID 5307530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).