1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one

C25H23F3N4O3 — CID 90286715

IUPAC1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(F)c(C(=O)N3CCC(F)(F)[C@@H](Oc4ccc5ccccc5n4)C3)c2)C1=O
InChIInChI=1S/C25H23F3N4O3/c1-30-12-13-32(24(30)34)17-7-8-19(26)18(14-17)23(33)31-11-10-25(27,28)21(15-31)35-22-9-6-16-4-2-3-5-20(16)29-22/h2-9,14,21H,10-13,15H2,1H3/t21-/m0/s1
InChIKeyRRXFBOAYRCOTGS-NRFANRHFSA-N
MW484.48 g/mol
LogP4.17
Rot. Bonds4

About 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one

1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one (PubChem CID 90286715) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one
PubChem CID90286715
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(F)c(C(=O)N3CCC(F)(F)[C@@H](Oc4ccc5ccccc5n4)C3)c2)C1=O
InChIInChI=1S/C25H23F3N4O3/c1-30-12-13-32(24(30)34)17-7-8-19(26)18(14-17)23(33)31-11-10-25(27,28)21(15-31)35-22-9-6-16-4-2-3-5-20(16)29-22/h2-9,14,21H,10-13,15H2,1H3/t21-/m0/s1
InChIKeyRRXFBOAYRCOTGS-NRFANRHFSA-N
XLogP4.17
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one (CID 90286715) is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(F)c(C(=O)N3CCC(F)(F)[C@@H](Oc4ccc5ccccc5n4)C3)c2)C1=O.
What is the InChIKey of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The InChIKey is RRXFBOAYRCOTGS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-30-12-13-32(24(30)34)17-7-8-19(26)18(14-17)23(33)31-11-10-25(27,28)21(15-31)35-22-9-6-16-4-2-3-5-20(16)29-22/h2-9,14,21H,10-13,15H2,1H3/t21-/m0/s1.
What are the key properties of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one?
1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one has a molecular weight of 484.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 90286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).