5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline

C20H17FN2 — CID 135152436

IUPAC5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
SMILESCC1(C)Cc2c(F)cccc2C(c2ccc3cccnc3c2)=N1
InChIInChI=1S/C20H17FN2/c1-20(2)12-16-15(6-3-7-17(16)21)19(23-20)14-9-8-13-5-4-10-22-18(13)11-14/h3-11H,12H2,1-2H3
InChIKeyMAMOYZZWVNBHIX-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.55
Rot. Bonds1

About 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline

5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline (PubChem CID 135152436) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline.

Molecular Properties

Compound Name5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
PubChem CID135152436
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
SMILESCC1(C)Cc2c(F)cccc2C(c2ccc3cccnc3c2)=N1
InChIInChI=1S/C20H17FN2/c1-20(2)12-16-15(6-3-7-17(16)21)19(23-20)14-9-8-13-5-4-10-22-18(13)11-14/h3-11H,12H2,1-2H3
InChIKeyMAMOYZZWVNBHIX-UHFFFAOYSA-N
XLogP4.55
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152411
3,3-dimethyl-1-quinolin-7-yl-5-(trifluoromethyl)-4H-isoquinoline
CID 135153240
3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152564
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline
CID 126682282
(E)-2-(5-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)but-2-enedioic acid;quinoline
CID 174503567
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
3-(5-bromo-3,3-dimethyl-4H-isoquinolin-1-yl)-8-fluoro-1,2,4-benzotriazine
CID 135152518
5-bromo-1-(3-fluoropyrazolo[1,5-a]pyrimidin-6-yl)-3,3-dimethyl-4H-isoquinoline
CID 118368657
5-methoxy-3,3-dimethyl-1-quinolin-2-yl-4H-isoquinoline
CID 135152690
N-(3,3-dimethyl-1-quinolin-3-yl-4H-isoquinolin-5-yl)-3-fluorobenzamide
CID 23160866
2-(6-fluoro-3,3,5-trimethyl-4H-isoquinolin-1-yl)quinazoline
CID 135153030

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline?
The IUPAC name of 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline (CID 135152436) is 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline.
What is the SMILES notation for 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline?
The canonical SMILES for 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline is CC1(C)Cc2c(F)cccc2C(c2ccc3cccnc3c2)=N1.
What is the InChIKey of 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline?
The InChIKey is MAMOYZZWVNBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c1-20(2)12-16-15(6-3-7-17(16)21)19(23-20)14-9-8-13-5-4-10-22-18(13)11-14/h3-11H,12H2,1-2H3.
What are the key properties of 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline?
5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline has a molecular weight of 304.37 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline is sourced from PubChem (CID 135152436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).