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

C24H21F3N4O3 — CID 90285118

IUPAC1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
SMILESO=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F3N4O3/c25-18-7-6-16(31-12-10-28-23(31)33)13-17(18)22(32)30-11-9-24(26,27)20(14-30)34-21-8-5-15-3-1-2-4-19(15)29-21/h1-8,13,20H,9-12,14H2,(H,28,33)/t20-/m0/s1
InChIKeyVKGPEMYHDUACKV-FQEVSTJZSA-N
MW470.45 g/mol
LogP3.83
Rot. Bonds4

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

1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one (PubChem CID 90285118) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
PubChem CID90285118
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
SMILESO=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H21F3N4O3/c25-18-7-6-16(31-12-10-28-23(31)33)13-17(18)22(32)30-11-9-24(26,27)20(14-30)34-21-8-5-15-3-1-2-4-19(15)29-21/h1-8,13,20H,9-12,14H2,(H,28,33)/t20-/m0/s1
InChIKeyVKGPEMYHDUACKV-FQEVSTJZSA-N
XLogP3.83
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one (CID 90285118) is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one is O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one?
The InChIKey is VKGPEMYHDUACKV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-18-7-6-16(31-12-10-28-23(31)33)13-17(18)22(32)30-11-9-24(26,27)20(14-30)34-21-8-5-15-3-1-2-4-19(15)29-21/h1-8,13,20H,9-12,14H2,(H,28,33)/t20-/m0/s1.
What are the key properties of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one?
1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one has a molecular weight of 470.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 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]imidazolidin-2-one is sourced from PubChem (CID 90285118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).