3-chloro-10-prop-2-enylacridin-9-one

C16H12ClNO — CID 24766310

IUPAC3-chloro-10-prop-2-enylacridin-9-one
SMILESC=CCn1c2ccccc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO/c1-2-9-18-14-6-4-3-5-12(14)16(19)13-8-7-11(17)10-15(13)18/h2-8,10H,1,9H2
InChIKeyDWRASRBLLXRJRH-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.99
Rot. Bonds2

About 3-chloro-10-prop-2-enylacridin-9-one

3-chloro-10-prop-2-enylacridin-9-one (PubChem CID 24766310) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-10-prop-2-enylacridin-9-one.

Molecular Properties

Compound Name3-chloro-10-prop-2-enylacridin-9-one
PubChem CID24766310
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name3-chloro-10-prop-2-enylacridin-9-one
SMILESC=CCn1c2ccccc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO/c1-2-9-18-14-6-4-3-5-12(14)16(19)13-8-7-11(17)10-15(13)18/h2-8,10H,1,9H2
InChIKeyDWRASRBLLXRJRH-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-chloro-10-prop-2-enylacridin-9-one?
The IUPAC name of 3-chloro-10-prop-2-enylacridin-9-one (CID 24766310) is 3-chloro-10-prop-2-enylacridin-9-one.
What is the SMILES notation for 3-chloro-10-prop-2-enylacridin-9-one?
The canonical SMILES for 3-chloro-10-prop-2-enylacridin-9-one is C=CCn1c2ccccc2c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 3-chloro-10-prop-2-enylacridin-9-one?
The InChIKey is DWRASRBLLXRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-2-9-18-14-6-4-3-5-12(14)16(19)13-8-7-11(17)10-15(13)18/h2-8,10H,1,9H2.
What are the key properties of 3-chloro-10-prop-2-enylacridin-9-one?
3-chloro-10-prop-2-enylacridin-9-one has a molecular weight of 269.73 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-prop-2-enylacridin-9-one is sourced from PubChem (CID 24766310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).