2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt

C25H21CoFNO- — CID 153380334

IUPAC2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt
SMILESCCCCOc1ccc(-c2ccc(-c3c[c-]c4cc(F)ccc4n3)cc2)cc1.[Co]
InChIInChI=1S/C25H21FNO.Co/c1-2-3-16-28-23-12-8-19(9-13-23)18-4-6-20(7-5-18)24-14-10-21-17-22(26)11-15-25(21)27-24;/h4-9,11-15,17H,2-3,16H2,1H3;/q-1;
InChIKeyYABOMBWEQXMDKW-UHFFFAOYSA-N
MW429.38 g/mol
LogP6.68
Rot. Bonds6

About 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt

2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt (PubChem CID 153380334) has the molecular formula C25H21CoFNO- and a molecular weight of 429.38 g/mol. Its IUPAC name is 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt.

Molecular Properties

Compound Name2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt
PubChem CID153380334
Molecular FormulaC25H21CoFNO-
Molecular Weight429.38 g/mol
Exact Mass429.09
IUPAC Name2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt
SMILESCCCCOc1ccc(-c2ccc(-c3c[c-]c4cc(F)ccc4n3)cc2)cc1.[Co]
InChIInChI=1S/C25H21FNO.Co/c1-2-3-16-28-23-12-8-19(9-13-23)18-4-6-20(7-5-18)24-14-10-21-17-22(26)11-15-25(21)27-24;/h4-9,11-15,17H,2-3,16H2,1H3;/q-1;
InChIKeyYABOMBWEQXMDKW-UHFFFAOYSA-N
XLogP6.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.38
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-butoxyphenyl)-3-fluorophenyl]-6-fluoro-4-methylquinoline
CID 170148996
6-fluoro-2-[5-(4-nonoxyphenyl)-2-pyridinyl]quinoline-4-carboxylic acid
CID 156802368
5-butoxy-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyridine
CID 139859259
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
4-(4-butoxyphenyl)-2-chloro-1-fluorobenzene
CID 69208522
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
2,3-difluoro-5-(4-octoxyphenyl)pyrazine
CID 139612881
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt?
The IUPAC name of 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt (CID 153380334) is 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt.
What is the SMILES notation for 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt?
The canonical SMILES for 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt is CCCCOc1ccc(-c2ccc(-c3c[c-]c4cc(F)ccc4n3)cc2)cc1.[Co].
What is the InChIKey of 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt?
The InChIKey is YABOMBWEQXMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FNO.Co/c1-2-3-16-28-23-12-8-19(9-13-23)18-4-6-20(7-5-18)24-14-10-21-17-22(26)11-15-25(21)27-24;/h4-9,11-15,17H,2-3,16H2,1H3;/q-1;.
What are the key properties of 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt?
2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt has a molecular weight of 429.38 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt is sourced from PubChem (CID 153380334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).