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

C24H22F2N4O3 — CID 77107191

IUPAC1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H22F2N4O3/c25-24(26)10-12-29(15-20(24)33-21-9-8-16-4-1-2-7-19(16)28-21)22(31)17-5-3-6-18(14-17)30-13-11-27-23(30)32/h1-9,14,20H,10-13,15H2,(H,27,32)/t20-/m0/s1
InChIKeyDHOJBZBZTROHDD-FQEVSTJZSA-N
MW452.46 g/mol
LogP3.69
Rot. Bonds4

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

1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 77107191) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID77107191
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H22F2N4O3/c25-24(26)10-12-29(15-20(24)33-21-9-8-16-4-1-2-7-19(16)28-21)22(31)17-5-3-6-18(14-17)30-13-11-27-23(30)32/h1-9,14,20H,10-13,15H2,(H,27,32)/t20-/m0/s1
InChIKeyDHOJBZBZTROHDD-FQEVSTJZSA-N
XLogP3.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
8-(quinoline-5-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376135
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-indol-4-yl)methanone
CID 90298431
Cinchoninamide, 2-butoxy-N-(2-(1-pyrrolidinyl)ethyl)-
CID 3051612
2,4-difluoro-5-[(4R)-3-[1-[[6-[4-[2-(isopropylamino)-2-oxo-ethyl]phenoxy]-2-methyl-3-pyridyl]methyl]-4-piperidyl]-2-oxo-4-phenyl-imidazolidin-1-yl]benzamide
CID 57394532
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
N-[2-(2-methylphenoxy)ethyl]-2-quinolinecarboxamide
CID 2295236
4-[4-(2-Methyl-quinolin-4-ylmethoxy)-benzoylamino]-6,8,10-trioxo-2,7,9-triaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 10289842
N-(2-acetyl-6,8,10-trioxo-2,7,9-triaza-spiro[4.5]dec-4-yl)-4-(2-methyl-quinolin-4-ylmethoxy)-benzamide
CID 10311498
N-[2-(2,2-dimethyl-propionyl)-6,8,10-trioxo-2,7,9-triaza-spiro[4.5]dec-4-yl]-4-(2-methyl-quinolin-4-ylmethoxy)-benzamide
CID 10311947

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 77107191) is 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is DHOJBZBZTROHDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-24(26)10-12-29(15-20(24)33-21-9-8-16-4-1-2-7-19(16)28-21)22(31)17-5-3-6-18(14-17)30-13-11-27-23(30)32/h1-9,14,20H,10-13,15H2,(H,27,32)/t20-/m0/s1.
What are the key properties of 1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 452.46 g/mol, XLogP of 3.69, 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]phenyl]imidazolidin-2-one is sourced from PubChem (CID 77107191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).