2-chloro-10-ethylacridin-1-one

C15H12ClNO — CID 19982990

IUPAC2-chloro-10-ethylacridin-1-one
SMILESCCn1c2ccc(Cl)c(=O)c-2cc2ccccc21
InChIInChI=1S/C15H12ClNO/c1-2-17-13-6-4-3-5-10(13)9-11-14(17)8-7-12(16)15(11)18/h3-9H,2H2,1H3
InChIKeyGIBDYWSQTBWPEM-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.78
Rot. Bonds1

About 2-chloro-10-ethylacridin-1-one

2-chloro-10-ethylacridin-1-one (PubChem CID 19982990) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-10-ethylacridin-1-one.

Molecular Properties

Compound Name2-chloro-10-ethylacridin-1-one
PubChem CID19982990
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-chloro-10-ethylacridin-1-one
SMILESCCn1c2ccc(Cl)c(=O)c-2cc2ccccc21
InChIInChI=1S/C15H12ClNO/c1-2-17-13-6-4-3-5-10(13)9-11-14(17)8-7-12(16)15(11)18/h3-9H,2H2,1H3
InChIKeyGIBDYWSQTBWPEM-UHFFFAOYSA-N
XLogP3.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.78
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 2-chloro-10-ethylacridin-1-one?
The IUPAC name of 2-chloro-10-ethylacridin-1-one (CID 19982990) is 2-chloro-10-ethylacridin-1-one.
What is the SMILES notation for 2-chloro-10-ethylacridin-1-one?
The canonical SMILES for 2-chloro-10-ethylacridin-1-one is CCn1c2ccc(Cl)c(=O)c-2cc2ccccc21.
What is the InChIKey of 2-chloro-10-ethylacridin-1-one?
The InChIKey is GIBDYWSQTBWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-2-17-13-6-4-3-5-10(13)9-11-14(17)8-7-12(16)15(11)18/h3-9H,2H2,1H3.
What are the key properties of 2-chloro-10-ethylacridin-1-one?
2-chloro-10-ethylacridin-1-one has a molecular weight of 257.72 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-ethylacridin-1-one is sourced from PubChem (CID 19982990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).