3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H21FN2O3 — CID 167748261

IUPAC3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(26)9-10-23(12-20)19(25)16-11-13-3-1-2-4-17(13)22-18(16)24/h5-8,11,26H,1-4,9-10,12H2,(H,22,24)
InChIKeyCAKRLSJFVFZMKY-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.13
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 167748261) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID167748261
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(26)9-10-23(12-20)19(25)16-11-13-3-1-2-4-17(13)22-18(16)24/h5-8,11,26H,1-4,9-10,12H2,(H,22,24)
InChIKeyCAKRLSJFVFZMKY-UHFFFAOYSA-N
XLogP2.13
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 167748261) is 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is CAKRLSJFVFZMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(26)9-10-23(12-20)19(25)16-11-13-3-1-2-4-17(13)22-18(16)24/h5-8,11,26H,1-4,9-10,12H2,(H,22,24).
What are the key properties of 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 167748261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).