(8-methylacridin-4-yl)-naphthalen-1-ylmethanone

C25H17NO — CID 146169350

IUPAC(8-methylacridin-4-yl)-naphthalen-1-ylmethanone
SMILESCc1cccc2nc3c(C(=O)c4cccc5ccccc45)cccc3cc12
InChIInChI=1S/C25H17NO/c1-16-7-4-14-23-22(16)15-18-10-6-13-21(24(18)26-23)25(27)20-12-5-9-17-8-2-3-11-19(17)20/h2-15H,1H3
InChIKeyWAGGXYSLKXVDFK-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.08
Rot. Bonds2

About (8-methylacridin-4-yl)-naphthalen-1-ylmethanone

(8-methylacridin-4-yl)-naphthalen-1-ylmethanone (PubChem CID 146169350) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is (8-methylacridin-4-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(8-methylacridin-4-yl)-naphthalen-1-ylmethanone
PubChem CID146169350
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name(8-methylacridin-4-yl)-naphthalen-1-ylmethanone
SMILESCc1cccc2nc3c(C(=O)c4cccc5ccccc45)cccc3cc12
InChIInChI=1S/C25H17NO/c1-16-7-4-14-23-22(16)15-18-10-6-13-21(24(18)26-23)25(27)20-12-5-9-17-8-2-3-11-19(17)20/h2-15H,1H3
InChIKeyWAGGXYSLKXVDFK-UHFFFAOYSA-N
XLogP6.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (8-methylacridin-4-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (8-methylacridin-4-yl)-naphthalen-1-ylmethanone (CID 146169350) is (8-methylacridin-4-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (8-methylacridin-4-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (8-methylacridin-4-yl)-naphthalen-1-ylmethanone is Cc1cccc2nc3c(C(=O)c4cccc5ccccc45)cccc3cc12.
What is the InChIKey of (8-methylacridin-4-yl)-naphthalen-1-ylmethanone?
The InChIKey is WAGGXYSLKXVDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c1-16-7-4-14-23-22(16)15-18-10-6-13-21(24(18)26-23)25(27)20-12-5-9-17-8-2-3-11-19(17)20/h2-15H,1H3.
What are the key properties of (8-methylacridin-4-yl)-naphthalen-1-ylmethanone?
(8-methylacridin-4-yl)-naphthalen-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylacridin-4-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 146169350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).