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

C25H22ClF2NO — CID 158185840

IUPAC2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C25H22ClF2NO/c26-21-3-1-15(11-22(21)28)12-24(30)20-14-25(20)8-5-16(6-9-25)18-7-10-29-23-4-2-17(27)13-19(18)23/h1-4,7,10-11,13,16,20H,5-6,8-9,12,14H2
InChIKeyFZCWWDUGMWEMMI-UHFFFAOYSA-N
MW425.91 g/mol
LogP6.64
Rot. Bonds4

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

2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (PubChem CID 158185840) has the molecular formula C25H22ClF2NO and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
PubChem CID158185840
Molecular FormulaC25H22ClF2NO
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C25H22ClF2NO/c26-21-3-1-15(11-22(21)28)12-24(30)20-14-25(20)8-5-16(6-9-25)18-7-10-29-23-4-2-17(27)13-19(18)23/h1-4,7,10-11,13,16,20H,5-6,8-9,12,14H2
InChIKeyFZCWWDUGMWEMMI-UHFFFAOYSA-N
XLogP6.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-1-[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
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 164615202
Adamantan-1-yl-(2-quinolin-3-yl-cyclopropyl)-methanone
CID 24759782
2-(4-chlorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 132090134
4-chloro-N-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propyl]benzamide
CID 132108380
(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
(E)-1-(3,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 10592356
(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-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (CID 158185840) is 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is O=C(Cc1ccc(Cl)c(F)c1)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The InChIKey is FZCWWDUGMWEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2NO/c26-21-3-1-15(11-22(21)28)12-24(30)20-14-25(20)8-5-16(6-9-25)18-7-10-29-23-4-2-17(27)13-19(18)23/h1-4,7,10-11,13,16,20H,5-6,8-9,12,14H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone has a molecular weight of 425.91 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 158185840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).