9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide

C22H18N2O2 — CID 16748018

IUPAC9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-14(15-7-3-2-4-8-15)23-22(26)16-11-12-18-20(13-16)24-19-10-6-5-9-17(19)21(18)25/h2-14H,1H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyBCOFSTGTSIOSBF-CQSZACIVSA-N
MW342.40 g/mol
LogP4.17
Rot. Bonds3

About 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide

9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide (PubChem CID 16748018) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide
PubChem CID16748018
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-14(15-7-3-2-4-8-15)23-22(26)16-11-12-18-20(13-16)24-19-10-6-5-9-17(19)21(18)25/h2-14H,1H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyBCOFSTGTSIOSBF-CQSZACIVSA-N
XLogP4.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
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 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide?
The IUPAC name of 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide (CID 16748018) is 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide.
What is the SMILES notation for 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide?
The canonical SMILES for 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide is C[C@@H](NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1.
What is the InChIKey of 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide?
The InChIKey is BCOFSTGTSIOSBF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14(15-7-3-2-4-8-15)23-22(26)16-11-12-18-20(13-16)24-19-10-6-5-9-17(19)21(18)25/h2-14H,1H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide?
9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[(1R)-1-phenylethyl]-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).