2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

C26H24ClF2NO — CID 157188110

IUPAC2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESCc1cc2nccc(C3CCC4(CC3)CC4C(=O)Cc3ccc(Cl)c(F)c3)c2cc1F
InChIInChI=1S/C26H24ClF2NO/c1-15-10-24-19(13-22(15)28)18(6-9-30-24)17-4-7-26(8-5-17)14-20(26)25(31)12-16-2-3-21(27)23(29)11-16/h2-3,6,9-11,13,17,20H,4-5,7-8,12,14H2,1H3
InChIKeyAPJDVZYVQVLRMR-UHFFFAOYSA-N
MW439.93 g/mol
LogP6.95
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (PubChem CID 157188110) has the molecular formula C26H24ClF2NO and a molecular weight of 439.93 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
PubChem CID157188110
Molecular FormulaC26H24ClF2NO
Molecular Weight439.93 g/mol
Exact Mass439.15
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESCc1cc2nccc(C3CCC4(CC3)CC4C(=O)Cc3ccc(Cl)c(F)c3)c2cc1F
InChIInChI=1S/C26H24ClF2NO/c1-15-10-24-19(13-22(15)28)18(6-9-30-24)17-4-7-26(8-5-17)14-20(26)25(31)12-16-2-3-21(27)23(29)11-16/h2-3,6,9-11,13,17,20H,4-5,7-8,12,14H2,1H3
InChIKeyAPJDVZYVQVLRMR-UHFFFAOYSA-N
XLogP6.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.93
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-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
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
(4-Chlorophenyl)[1-(quinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 16191138
(5R)-5-(4-chlorophenyl)-3-quinolin-6-ylcyclohex-2-en-1-one
CID 44143807
6,6-Dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione
CID 46904845
8-(4-chlorophenyl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a]-4,7-phenanthrolin-9(7H)-one
CID 2899485
1-(4-Tert-butylphenyl)-2-(4,7-dichloroquinolin-1-ium-1-yl)ethanone
CID 3995606

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (CID 157188110) is 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is Cc1cc2nccc(C3CCC4(CC3)CC4C(=O)Cc3ccc(Cl)c(F)c3)c2cc1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The InChIKey is APJDVZYVQVLRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2NO/c1-15-10-24-19(13-22(15)28)18(6-9-30-24)17-4-7-26(8-5-17)14-20(26)25(31)12-16-2-3-21(27)23(29)11-16/h2-3,6,9-11,13,17,20H,4-5,7-8,12,14H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
2-(4-chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone has a molecular weight of 439.93 g/mol, XLogP of 6.95, 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-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 157188110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).