10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one

C23H17NO2 — CID 11046060

IUPAC10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one
SMILESC/C(=C\c1ccccc1)C(=O)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H17NO2/c1-16(15-17-9-3-2-4-10-17)23(26)24-20-13-7-5-11-18(20)22(25)19-12-6-8-14-21(19)24/h2-15H,1H3/b16-15+
InChIKeyQIEALCLKEWBLGK-FOCLMDBBSA-N
MW339.39 g/mol
LogP4.90
Rot. Bonds2

About 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one

10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one (PubChem CID 11046060) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one.

Molecular Properties

Compound Name10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one
PubChem CID11046060
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one
SMILESC/C(=C\c1ccccc1)C(=O)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H17NO2/c1-16(15-17-9-3-2-4-10-17)23(26)24-20-13-7-5-11-18(20)22(25)19-12-6-8-14-21(19)24/h2-15H,1H3/b16-15+
InChIKeyQIEALCLKEWBLGK-FOCLMDBBSA-N
XLogP4.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one?
The IUPAC name of 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one (CID 11046060) is 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one.
What is the SMILES notation for 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one?
The canonical SMILES for 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one is C/C(=C\c1ccccc1)C(=O)n1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one?
The InChIKey is QIEALCLKEWBLGK-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H17NO2/c1-16(15-17-9-3-2-4-10-17)23(26)24-20-13-7-5-11-18(20)22(25)19-12-6-8-14-21(19)24/h2-15H,1H3/b16-15+.
What are the key properties of 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one?
10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one has a molecular weight of 339.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(E)-2-methyl-3-phenylprop-2-enoyl]acridin-9-one is sourced from PubChem (CID 11046060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).