[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone

C26H21F2N3O2 — CID 90298270

IUPAC[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C26H21F2N3O2/c27-26(28)14-16-31(17-23(26)33-24-13-12-18-7-1-4-10-21(18)30-24)25(32)20-9-3-2-8-19(20)22-11-5-6-15-29-22/h1-13,15,23H,14,16-17H2/t23-/m0/s1
InChIKeyDSADNPWZNBQZNT-QHCPKHFHSA-N
MW445.47 g/mol
LogP5.23
Rot. Bonds4

About [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone (PubChem CID 90298270) has the molecular formula C26H21F2N3O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
PubChem CID90298270
Molecular FormulaC26H21F2N3O2
Molecular Weight445.47 g/mol
Exact Mass445.16
IUPAC Name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C26H21F2N3O2/c27-26(28)14-16-31(17-23(26)33-24-13-12-18-7-1-4-10-21(18)30-24)25(32)20-9-3-2-8-19(20)22-11-5-6-15-29-22/h1-13,15,23H,14,16-17H2/t23-/m0/s1
InChIKeyDSADNPWZNBQZNT-QHCPKHFHSA-N
XLogP5.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone with MolForge

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Related Compounds

Biarylether amide quinoline, 4g
CID 44123769
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4f
CID 44472996
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
CID 77107393
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-indol-4-yl)methanone
CID 90298431
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 118726314
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156

Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The IUPAC name of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone (CID 90298270) is [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone is O=C(c1ccccc1-c1ccccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The InChIKey is DSADNPWZNBQZNT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H21F2N3O2/c27-26(28)14-16-31(17-23(26)33-24-13-12-18-7-1-4-10-21(18)30-24)25(32)20-9-3-2-8-19(20)22-11-5-6-15-29-22/h1-13,15,23H,14,16-17H2/t23-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone has a molecular weight of 445.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 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]-(2-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 90298270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).