9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one

C21H20FNO3 — CID 159576679

IUPAC9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one
SMILESO=C1CCC2=C1C(c1cccc(F)c1)c1ccc(CO)cc1N2CCO
InChIInChI=1S/C21H20FNO3/c22-15-3-1-2-14(11-15)20-16-5-4-13(12-25)10-18(16)23(8-9-24)17-6-7-19(26)21(17)20/h1-5,10-11,20,24-25H,6-9,12H2
InChIKeyWQVRNUVTSSHBNW-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.88
Rot. Bonds4

About 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one

9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one (PubChem CID 159576679) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one
PubChem CID159576679
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one
SMILESO=C1CCC2=C1C(c1cccc(F)c1)c1ccc(CO)cc1N2CCO
InChIInChI=1S/C21H20FNO3/c22-15-3-1-2-14(11-15)20-16-5-4-13(12-25)10-18(16)23(8-9-24)17-6-7-19(26)21(17)20/h1-5,10-11,20,24-25H,6-9,12H2
InChIKeyWQVRNUVTSSHBNW-UHFFFAOYSA-N
XLogP2.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one?
The IUPAC name of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one (CID 159576679) is 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one.
What is the SMILES notation for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one?
The canonical SMILES for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one is O=C1CCC2=C1C(c1cccc(F)c1)c1ccc(CO)cc1N2CCO.
What is the InChIKey of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one?
The InChIKey is WQVRNUVTSSHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-15-3-1-2-14(11-15)20-16-5-4-13(12-25)10-18(16)23(8-9-24)17-6-7-19(26)21(17)20/h1-5,10-11,20,24-25H,6-9,12H2.
What are the key properties of 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one?
9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one has a molecular weight of 353.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-4-(2-hydroxyethyl)-6-(hydroxymethyl)-3,9-dihydro-2H-cyclopenta[b]quinolin-1-one is sourced from PubChem (CID 159576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).