10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one

C18H18N2O — CID 103071607

IUPAC10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one
SMILESC=C(CNC)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(11-19-2)12-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20/h3-10,19H,1,11-12H2,2H3
InChIKeyDRLFOGALBQIXRX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.93
Rot. Bonds4

About 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one

10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one (PubChem CID 103071607) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one
PubChem CID103071607
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one
SMILESC=C(CNC)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(11-19-2)12-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20/h3-10,19H,1,11-12H2,2H3
InChIKeyDRLFOGALBQIXRX-UHFFFAOYSA-N
XLogP2.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one?
The IUPAC name of 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one (CID 103071607) is 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one.
What is the SMILES notation for 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one?
The canonical SMILES for 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one is C=C(CNC)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one?
The InChIKey is DRLFOGALBQIXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(11-19-2)12-20-16-9-5-3-7-14(16)18(21)15-8-4-6-10-17(15)20/h3-10,19H,1,11-12H2,2H3.
What are the key properties of 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one?
10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one has a molecular weight of 278.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(methylaminomethyl)prop-2-enyl]acridin-9-one is sourced from PubChem (CID 103071607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).