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

C13H8ClNO2 — CID 131713832

IUPAC1-chloro-2-hydroxy-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccc(O)c(Cl)c12
InChIInChI=1S/C13H8ClNO2/c14-12-10(16)6-5-9-11(12)13(17)7-3-1-2-4-8(7)15-9/h1-6,16H,(H,15,17)
InChIKeyTUFZLDLZCQJQQZ-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.04
Rot. Bonds

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

1-chloro-2-hydroxy-10H-acridin-9-one (PubChem CID 131713832) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-chloro-2-hydroxy-10H-acridin-9-one.

Molecular Properties

Compound Name1-chloro-2-hydroxy-10H-acridin-9-one
PubChem CID131713832
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name1-chloro-2-hydroxy-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccc(O)c(Cl)c12
InChIInChI=1S/C13H8ClNO2/c14-12-10(16)6-5-9-11(12)13(17)7-3-1-2-4-8(7)15-9/h1-6,16H,(H,15,17)
InChIKeyTUFZLDLZCQJQQZ-UHFFFAOYSA-N
XLogP3.04
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.04
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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Related Compounds

2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
CID 154130044
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;ethane
CID 91525380
1-chloro-2-hydroxythioxanthen-9-one
CID 54045357
3,4-dichloro-10H-acridin-9-one
CID 138629142
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
1-[4,6-bis(9-oxo-10H-acridin-1-yl)-1,3,5-triazin-2-yl]-10H-acridin-9-one
CID 90952892
1-methyl-6H-pyrrolo[2,3-a]acridin-11-one
CID 10562509
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-hydroxy-10H-acridin-9-one?
The IUPAC name of 1-chloro-2-hydroxy-10H-acridin-9-one (CID 131713832) is 1-chloro-2-hydroxy-10H-acridin-9-one.
What is the SMILES notation for 1-chloro-2-hydroxy-10H-acridin-9-one?
The canonical SMILES for 1-chloro-2-hydroxy-10H-acridin-9-one is O=c1c2ccccc2[nH]c2ccc(O)c(Cl)c12.
What is the InChIKey of 1-chloro-2-hydroxy-10H-acridin-9-one?
The InChIKey is TUFZLDLZCQJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-12-10(16)6-5-9-11(12)13(17)7-3-1-2-4-8(7)15-9/h1-6,16H,(H,15,17).
What are the key properties of 1-chloro-2-hydroxy-10H-acridin-9-one?
1-chloro-2-hydroxy-10H-acridin-9-one has a molecular weight of 245.67 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-hydroxy-10H-acridin-9-one is sourced from PubChem (CID 131713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).