[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

C24H20F2N4O2 — CID 90298273

IUPAC[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F2N4O2/c25-24(26)10-13-30(23(31)18-6-3-5-17(14-18)22-27-11-12-28-22)15-20(24)32-21-9-8-16-4-1-2-7-19(16)29-21/h1-9,11-12,14,20H,10,13,15H2,(H,27,28)/t20-/m0/s1
InChIKeyVHXXODCGQKAUJV-FQEVSTJZSA-N
MW434.45 g/mol
LogP4.55
Rot. Bonds4

About [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 90298273) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID90298273
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H20F2N4O2/c25-24(26)10-13-30(23(31)18-6-3-5-17(14-18)22-27-11-12-28-22)15-20(24)32-21-9-8-16-4-1-2-7-19(16)29-21/h1-9,11-12,14,20H,10,13,15H2,(H,27,28)/t20-/m0/s1
InChIKeyVHXXODCGQKAUJV-FQEVSTJZSA-N
XLogP4.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (CID 90298273) is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is VHXXODCGQKAUJV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-24(26)10-13-30(23(31)18-6-3-5-17(14-18)22-27-11-12-28-22)15-20(24)32-21-9-8-16-4-1-2-7-19(16)29-21/h1-9,11-12,14,20H,10,13,15H2,(H,27,28)/t20-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 434.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90298273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).