7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine

C24H18F2N2 — CID 129170157

IUPAC7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine
SMILESC=C(Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1)c1ccccc1F
InChIInChI=1S/C24H18F2N2/c1-15-7-10-20(25)13-22(15)18-9-8-17-12-24(27-14-19(17)11-18)28-16(2)21-5-3-4-6-23(21)26/h3-14H,2H2,1H3,(H,27,28)
InChIKeyKCHTYPMYUOBYBC-UHFFFAOYSA-N
MW372.42 g/mol
LogP6.57
Rot. Bonds4

About 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine

7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine (PubChem CID 129170157) has the molecular formula C24H18F2N2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine.

Molecular Properties

Compound Name7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine
PubChem CID129170157
Molecular FormulaC24H18F2N2
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine
SMILESC=C(Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1)c1ccccc1F
InChIInChI=1S/C24H18F2N2/c1-15-7-10-20(25)13-22(15)18-9-8-17-12-24(27-14-19(17)11-18)28-16(2)21-5-3-4-6-23(21)26/h3-14H,2H2,1H3,(H,27,28)
InChIKeyKCHTYPMYUOBYBC-UHFFFAOYSA-N
XLogP6.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-fluorocyclopropyl)ethenyl]-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129170148
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine
CID 129170195
[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol
CID 67974361
N-(1-cyclopropylethenyl)-7-(2,5-dimethylphenyl)isoquinolin-3-amine
CID 129169928
[7-(5-chloro-2-methylphenyl)isoquinolin-3-yl]carbamic acid;cyclopropane
CID 129159009
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129159059
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657
7-(2-chloro-5-fluoro-3-pyridinyl)-N-(1-cyclopropylethenyl)isoquinolin-3-amine
CID 129169917
1-ethyl-1-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]urea
CID 67975075
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine?
The IUPAC name of 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine (CID 129170157) is 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine.
What is the SMILES notation for 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine?
The canonical SMILES for 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine is C=C(Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1)c1ccccc1F.
What is the InChIKey of 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine?
The InChIKey is KCHTYPMYUOBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2/c1-15-7-10-20(25)13-22(15)18-9-8-17-12-24(27-14-19(17)11-18)28-16(2)21-5-3-4-6-23(21)26/h3-14H,2H2,1H3,(H,27,28).
What are the key properties of 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine?
7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine has a molecular weight of 372.42 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine is sourced from PubChem (CID 129170157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).