1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid

C26H21F7N4O5 — CID 118496762

IUPAC1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F4N4O3.C2HF3O2/c25-16-12-17(26)19(32-10-8-29-23(32)34)11-15(16)22(33)31-9-7-24(27,28)20(13-31)35-21-6-5-14-3-1-2-4-18(14)30-21;3-2(4,5)1(6)7/h1-6,11-12,20H,7-10,13H2,(H,29,34);(H,6,7)/t20-;/m0./s1
InChIKeyDALSPIQDNYRTIQ-BDQAORGHSA-N
MW602.46 g/mol
LogP4.60
Rot. Bonds4

About 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid

1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 118496762) has the molecular formula C26H21F7N4O5 and a molecular weight of 602.46 g/mol. Its IUPAC name is 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID118496762
Molecular FormulaC26H21F7N4O5
Molecular Weight602.46 g/mol
Exact Mass602.14
IUPAC Name1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F4N4O3.C2HF3O2/c25-16-12-17(26)19(32-10-8-29-23(32)34)11-15(16)22(33)31-9-7-24(27,28)20(13-31)35-21-6-5-14-3-1-2-4-18(14)30-21;3-2(4,5)1(6)7/h1-6,11-12,20H,7-10,13H2,(H,29,34);(H,6,7)/t20-;/m0./s1
InChIKeyDALSPIQDNYRTIQ-BDQAORGHSA-N
XLogP4.60
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid 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-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid (CID 118496762) is 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cc(N2CCNC2=O)c(F)cc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is DALSPIQDNYRTIQ-BDQAORGHSA-N. The full InChI is InChI=1S/C24H20F4N4O3.C2HF3O2/c25-16-12-17(26)19(32-10-8-29-23(32)34)11-15(16)22(33)31-9-7-24(27,28)20(13-31)35-21-6-5-14-3-1-2-4-18(14)30-21;3-2(4,5)1(6)7/h1-6,11-12,20H,7-10,13H2,(H,29,34);(H,6,7)/t20-;/m0./s1.
What are the key properties of 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid?
1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 602.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]-2,4-difluorophenyl]imidazolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118496762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).