4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine

C21H16FN3O — CID 44527393

IUPAC4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)cn1
InChIInChI=1S/C21H16FN3O/c1-26-20-9-5-15(11-24-20)14-4-8-17-18(10-14)21(23)25-12-19(17)13-2-6-16(22)7-3-13/h2-12H,1H3,(H2,23,25)
InChIKeyRYVWHRYORNUHHP-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.69
Rot. Bonds3

About 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine

4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine (PubChem CID 44527393) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine
PubChem CID44527393
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine
SMILESCOc1ccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)cn1
InChIInChI=1S/C21H16FN3O/c1-26-20-9-5-15(11-24-20)14-4-8-17-18(10-14)21(23)25-12-19(17)13-2-6-16(22)7-3-13/h2-12H,1H3,(H2,23,25)
InChIKeyRYVWHRYORNUHHP-UHFFFAOYSA-N
XLogP4.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine (CID 44527393) is 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine is COc1ccc(-c2ccc3c(-c4ccc(F)cc4)cnc(N)c3c2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine?
The InChIKey is RYVWHRYORNUHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-26-20-9-5-15(11-24-20)14-4-8-17-18(10-14)21(23)25-12-19(17)13-2-6-16(22)7-3-13/h2-12H,1H3,(H2,23,25).
What are the key properties of 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine?
4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine has a molecular weight of 345.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-(6-methoxy-3-pyridinyl)isoquinolin-1-amine is sourced from PubChem (CID 44527393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).