2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

C24H22ClFN2O — CID 157385283

IUPAC2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)nc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C24H22ClFN2O/c25-23-4-1-15(14-28-23)11-22(29)20-13-24(20)8-5-16(6-9-24)18-7-10-27-21-3-2-17(26)12-19(18)21/h1-4,7,10,12,14,16,20H,5-6,8-9,11,13H2/t16?,20-,24?/m1/s1
InChIKeyZFBVUWCSMNXLFV-HYSRAYMDSA-N
MW408.90 g/mol
LogP5.90
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (PubChem CID 157385283) has the molecular formula C24H22ClFN2O and a molecular weight of 408.90 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
PubChem CID157385283
Molecular FormulaC24H22ClFN2O
Molecular Weight408.90 g/mol
Exact Mass408.14
IUPAC Name2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)nc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C24H22ClFN2O/c25-23-4-1-15(14-28-23)11-22(29)20-13-24(20)8-5-16(6-9-24)18-7-10-27-21-3-2-17(26)12-19(18)21/h1-4,7,10,12,14,16,20H,5-6,8-9,11,13H2/t16?,20-,24?/m1/s1
InChIKeyZFBVUWCSMNXLFV-HYSRAYMDSA-N
XLogP5.90
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.90
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone with MolForge

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Related Compounds

(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide
CID 121328278
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57394445
3-Chloro-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10914121
2-(4-chlorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 132090134
(2S)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 135393338
(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 138608753
8-chloro-N-(4-fluorophenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 1257052
N-(2-Chloro-8-methyl-quinolin-3-ylmethyl)-2-fluoro-N-pyridin-3-ylmethyl-benzamide
CID 1459762
(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 11779248
(4-Chlorophenyl)[1-(8-quinolinylmethyl)-3-piperidinyl]methanone
CID 16189937
(4-Chlorophenyl)[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 16190864
(4-Chlorophenyl)[1-(quinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 16191138

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (CID 157385283) is 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is O=C(Cc1ccc(Cl)nc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The InChIKey is ZFBVUWCSMNXLFV-HYSRAYMDSA-N. The full InChI is InChI=1S/C24H22ClFN2O/c25-23-4-1-15(14-28-23)11-22(29)20-13-24(20)8-5-16(6-9-24)18-7-10-27-21-3-2-17(26)12-19(18)21/h1-4,7,10,12,14,16,20H,5-6,8-9,11,13H2/t16?,20-,24?/m1/s1.
What are the key properties of 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone has a molecular weight of 408.90 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 157385283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).