5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol

C17H23N3O2 — CID 683744

IUPAC5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12
InChIInChI=1S/C17H23N3O2/c1-19-6-8-20(9-7-19)11-13-10-14(12-22-2)15-4-3-5-18-16(15)17(13)21/h3-5,10,21H,6-9,11-12H2,1-2H3
InChIKeyLLLBEKZVWWQWAQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.83
Rot. Bonds4

About 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol

5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 683744) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID683744
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12
InChIInChI=1S/C17H23N3O2/c1-19-6-8-20(9-7-19)11-13-10-14(12-22-2)15-4-3-5-18-16(15)17(13)21/h3-5,10,21H,6-9,11-12H2,1-2H3
InChIKeyLLLBEKZVWWQWAQ-UHFFFAOYSA-N
XLogP1.83
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (CID 683744) is 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is COCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12.
What is the InChIKey of 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is LLLBEKZVWWQWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-6-8-20(9-7-19)11-13-10-14(12-22-2)15-4-3-5-18-16(15)17(13)21/h3-5,10,21H,6-9,11-12H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 301.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 683744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).