6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H10Cl2FNO — CID 107577450

IUPAC6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)c(F)c(Cl)c13)CCCC2
InChIInChI=1S/C13H10Cl2FNO/c14-7-5-9-10(11(15)12(7)16)13(18)6-3-1-2-4-8(6)17-9/h5H,1-4H2,(H,17,18)
InChIKeyNLBCUQCLAZUUIE-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.85
Rot. Bonds

About 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one

6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 107577450) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID107577450
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)c(F)c(Cl)c13)CCCC2
InChIInChI=1S/C13H10Cl2FNO/c14-7-5-9-10(11(15)12(7)16)13(18)6-3-1-2-4-8(6)17-9/h5H,1-4H2,(H,17,18)
InChIKeyNLBCUQCLAZUUIE-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
CID 79195348
6-chloro-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 69300451
5,7-dichloro-6-fluoro-2-propan-2-yl-1H-quinolin-4-one
CID 107577447
7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382713
8-bromo-5,7-difluoro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 102854731
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107628071
2-bromo-3,4-dichloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107792833
5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381816
5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382722
7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362611
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
7-(4-chlorophenoxy)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 172712083

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 107577450) is 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3cc(Cl)c(F)c(Cl)c13)CCCC2.
What is the InChIKey of 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is NLBCUQCLAZUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-7-5-9-10(11(15)12(7)16)13(18)6-3-1-2-4-8(6)17-9/h5H,1-4H2,(H,17,18).
What are the key properties of 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one?
6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 286.13 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 107577450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).