2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one

C14H10ClNO2 — CID 154130044

IUPAC2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
SMILESCc1c(Cl)cc(O)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C14H10ClNO2/c1-7-9(15)6-11(17)13-12(7)14(18)8-4-2-3-5-10(8)16-13/h2-6,17H,1H3,(H,16,18)
InChIKeyMFXKOZFKCCYZJQ-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.35
Rot. Bonds

About 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one

2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one (PubChem CID 154130044) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
PubChem CID154130044
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
SMILESCc1c(Cl)cc(O)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C14H10ClNO2/c1-7-9(15)6-11(17)13-12(7)14(18)8-4-2-3-5-10(8)16-13/h2-6,17H,1H3,(H,16,18)
InChIKeyMFXKOZFKCCYZJQ-UHFFFAOYSA-N
XLogP3.35
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.35
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 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one?
The IUPAC name of 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one (CID 154130044) is 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one.
What is the SMILES notation for 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one?
The canonical SMILES for 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one is Cc1c(Cl)cc(O)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one?
The InChIKey is MFXKOZFKCCYZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-7-9(15)6-11(17)13-12(7)14(18)8-4-2-3-5-10(8)16-13/h2-6,17H,1H3,(H,16,18).
What are the key properties of 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one?
2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one has a molecular weight of 259.69 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one is sourced from PubChem (CID 154130044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).