2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde

C21H20N2O4 — CID 88947020

IUPAC2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)o2)CC1
InChIInChI=1S/C21H20N2O4/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
InChIKeyXYOMDLUIYINLEM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.01
Rot. Bonds3

About 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde

2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde (PubChem CID 88947020) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
PubChem CID88947020
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)o2)CC1
InChIInChI=1S/C21H20N2O4/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
InChIKeyXYOMDLUIYINLEM-UHFFFAOYSA-N
XLogP3.01
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde (CID 88947020) is 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde is CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)o2)CC1.
What is the InChIKey of 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde?
The InChIKey is XYOMDLUIYINLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3.
What are the key properties of 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde has a molecular weight of 364.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).