7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine

C20H18F2N2 — CID 129170195

IUPAC7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine
SMILESC=C(CCC)Nc1cc2ccc(-c3cc(F)ccc3F)cc2cn1
InChIInChI=1S/C20H18F2N2/c1-3-4-13(2)24-20-10-14-5-6-15(9-16(14)12-23-20)18-11-17(21)7-8-19(18)22/h5-12H,2-4H2,1H3,(H,23,24)
InChIKeyUGYNGVJMJUGDMG-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.91
Rot. Bonds5

About 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine

7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine (PubChem CID 129170195) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine
PubChem CID129170195
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine
SMILESC=C(CCC)Nc1cc2ccc(-c3cc(F)ccc3F)cc2cn1
InChIInChI=1S/C20H18F2N2/c1-3-4-13(2)24-20-10-14-5-6-15(9-16(14)12-23-20)18-11-17(21)7-8-19(18)22/h5-12H,2-4H2,1H3,(H,23,24)
InChIKeyUGYNGVJMJUGDMG-UHFFFAOYSA-N
XLogP5.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine?
The IUPAC name of 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine (CID 129170195) is 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine.
What is the SMILES notation for 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine?
The canonical SMILES for 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine is C=C(CCC)Nc1cc2ccc(-c3cc(F)ccc3F)cc2cn1.
What is the InChIKey of 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine?
The InChIKey is UGYNGVJMJUGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c1-3-4-13(2)24-20-10-14-5-6-15(9-16(14)12-23-20)18-11-17(21)7-8-19(18)22/h5-12H,2-4H2,1H3,(H,23,24).
What are the key properties of 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine?
7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine has a molecular weight of 324.37 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)-N-pent-1-en-2-ylisoquinolin-3-amine is sourced from PubChem (CID 129170195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).