5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline

C22H20F2N2 — CID 23160881

IUPAC5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccc(F)cc3c2)c2cccc(F)c2C1(C)C
InChIInChI=1S/C22H20F2N2/c1-21(2)19-16(6-5-7-17(19)24)20(26-22(21,3)4)14-10-13-11-15(23)8-9-18(13)25-12-14/h5-12H,1-4H3
InChIKeyPOLVYGSPLKVPOA-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.42
Rot. Bonds1

About 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline

5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline (PubChem CID 23160881) has the molecular formula C22H20F2N2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline.

Molecular Properties

Compound Name5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
PubChem CID23160881
Molecular FormulaC22H20F2N2
Molecular Weight350.41 g/mol
Exact Mass350.16
IUPAC Name5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
SMILESCC1(C)N=C(c2cnc3ccc(F)cc3c2)c2cccc(F)c2C1(C)C
InChIInChI=1S/C22H20F2N2/c1-21(2)19-16(6-5-7-17(19)24)20(26-22(21,3)4)14-10-13-11-15(23)8-9-18(13)25-12-14/h5-12H,1-4H3
InChIKeyPOLVYGSPLKVPOA-UHFFFAOYSA-N
XLogP5.42
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
5-fluoro-1-(6-fluoro-2-methylindazol-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 138617281
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylpyrrolo[1,2-a]pyrimidin-3-yl)isoquinoline
CID 123197246
5-fluoro-3,3,4,4-tetramethyl-1-(6-methylpyrrolo[1,2-b]pyridazin-3-yl)isoquinoline
CID 118302964
5-fluoro-1-(7-methoxypyrrolo[1,2-b]pyridazin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 118302977
8-fluoro-3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)cinnoline
CID 135152450
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306253
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160875
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-3-fluorobenzamide
CID 23160866
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-4-fluorobenzamide
CID 23160773

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline?
The IUPAC name of 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline (CID 23160881) is 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline.
What is the SMILES notation for 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline?
The canonical SMILES for 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline is CC1(C)N=C(c2cnc3ccc(F)cc3c2)c2cccc(F)c2C1(C)C.
What is the InChIKey of 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline?
The InChIKey is POLVYGSPLKVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2/c1-21(2)19-16(6-5-7-17(19)24)20(26-22(21,3)4)14-10-13-11-15(23)8-9-18(13)25-12-14/h5-12H,1-4H3.
What are the key properties of 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline?
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline has a molecular weight of 350.41 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline is sourced from PubChem (CID 23160881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).