8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one

C12H11ClFNO — CID 18516353

IUPAC8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
SMILESO=C1Nc2ccc(Cl)cc2C2CCCC12F
InChIInChI=1S/C12H11ClFNO/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyBXFWZRNUGQVXQB-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.27
Rot. Bonds

About 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one

8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one (PubChem CID 18516353) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
PubChem CID18516353
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
SMILESO=C1Nc2ccc(Cl)cc2C2CCCC12F
InChIInChI=1S/C12H11ClFNO/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyBXFWZRNUGQVXQB-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The IUPAC name of 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one (CID 18516353) is 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one.
What is the SMILES notation for 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The canonical SMILES for 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one is O=C1Nc2ccc(Cl)cc2C2CCCC12F.
What is the InChIKey of 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The InChIKey is BXFWZRNUGQVXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-7-3-4-10-8(6-7)9-2-1-5-12(9,14)11(16)15-10/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one has a molecular weight of 239.68 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3a-fluoro-2,3,5,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one is sourced from PubChem (CID 18516353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).