4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline

C20H17FN2 — CID 71424801

IUPAC4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline
SMILESCCC1CN=C(c2cnc3ccccc3c2)c2cccc(F)c21
InChIInChI=1S/C20H17FN2/c1-2-13-11-23-20(16-7-5-8-17(21)19(13)16)15-10-14-6-3-4-9-18(14)22-12-15/h3-10,12-13H,2,11H2,1H3
InChIKeyJUKLHCNCSYFDLY-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.72
Rot. Bonds2

About 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline

4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline (PubChem CID 71424801) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline
PubChem CID71424801
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline
SMILESCCC1CN=C(c2cnc3ccccc3c2)c2cccc(F)c21
InChIInChI=1S/C20H17FN2/c1-2-13-11-23-20(16-7-5-8-17(21)19(13)16)15-10-14-6-3-4-9-18(14)22-12-15/h3-10,12-13H,2,11H2,1H3
InChIKeyJUKLHCNCSYFDLY-UHFFFAOYSA-N
XLogP4.72
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3,4-dimethyl-1-quinolin-3-yl-3,4-dihydroisoquinoline
CID 71424797
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
3-(2,3-dichlorophenyl)quinoline
CID 175328556
3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline
CID 25267300
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
3-(3-fluoro-6-methyl-2-pyridinyl)quinoline
CID 166386545
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160875
2-quinolin-3-ylaniline
CID 4134401

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline?
The IUPAC name of 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline (CID 71424801) is 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline is CCC1CN=C(c2cnc3ccccc3c2)c2cccc(F)c21.
What is the InChIKey of 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline?
The InChIKey is JUKLHCNCSYFDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c1-2-13-11-23-20(16-7-5-8-17(21)19(13)16)15-10-14-6-3-4-9-18(14)22-12-15/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline?
4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline has a molecular weight of 304.37 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 71424801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).