1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine

C29H23N3O — CID 151551942

IUPAC1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine
SMILESCc1cc(OCCc2cccc3nc4ccccc4cc23)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C29H23N3O/c1-20-17-29(31-32(20)25-14-13-21-7-2-3-8-23(21)18-25)33-16-15-22-10-6-12-28-26(22)19-24-9-4-5-11-27(24)30-28/h2-14,17-19H,15-16H2,1H3
InChIKeyQARFFEWWZRYIQE-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.66
Rot. Bonds5

About 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine

1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine (PubChem CID 151551942) has the molecular formula C29H23N3O and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine.

Molecular Properties

Compound Name1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine
PubChem CID151551942
Molecular FormulaC29H23N3O
Molecular Weight429.52 g/mol
Exact Mass429.18
IUPAC Name1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine
SMILESCc1cc(OCCc2cccc3nc4ccccc4cc23)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C29H23N3O/c1-20-17-29(31-32(20)25-14-13-21-7-2-3-8-23(21)18-25)33-16-15-22-10-6-12-28-26(22)19-24-9-4-5-11-27(24)30-28/h2-14,17-19H,15-16H2,1H3
InChIKeyQARFFEWWZRYIQE-UHFFFAOYSA-N
XLogP6.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine?
The IUPAC name of 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine (CID 151551942) is 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine.
What is the SMILES notation for 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine?
The canonical SMILES for 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine is Cc1cc(OCCc2cccc3nc4ccccc4cc23)nn1-c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine?
The InChIKey is QARFFEWWZRYIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O/c1-20-17-29(31-32(20)25-14-13-21-7-2-3-8-23(21)18-25)33-16-15-22-10-6-12-28-26(22)19-24-9-4-5-11-27(24)30-28/h2-14,17-19H,15-16H2,1H3.
What are the key properties of 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine?
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine has a molecular weight of 429.52 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine is sourced from PubChem (CID 151551942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).