5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine

C20H16N2O2 — CID 73386761

IUPAC5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine
SMILESCOc1ccc(Nc2cc3c(-c4ccco4)cccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c1-23-16-9-7-15(8-10-16)22-20-12-18-14(13-21-20)4-2-5-17(18)19-6-3-11-24-19/h2-13H,1H3,(H,21,22)
InChIKeyFCVCOQLODIMUOL-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.25
Rot. Bonds4

About 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine

5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine (PubChem CID 73386761) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine
PubChem CID73386761
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine
SMILESCOc1ccc(Nc2cc3c(-c4ccco4)cccc3cn2)cc1
InChIInChI=1S/C20H16N2O2/c1-23-16-9-7-15(8-10-16)22-20-12-18-14(13-21-20)4-2-5-17(18)19-6-3-11-24-19/h2-13H,1H3,(H,21,22)
InChIKeyFCVCOQLODIMUOL-UHFFFAOYSA-N
XLogP5.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine?
The IUPAC name of 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine (CID 73386761) is 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine?
The canonical SMILES for 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine is COc1ccc(Nc2cc3c(-c4ccco4)cccc3cn2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine?
The InChIKey is FCVCOQLODIMUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-16-9-7-15(8-10-16)22-20-12-18-14(13-21-20)4-2-5-17(18)19-6-3-11-24-19/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine?
5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine has a molecular weight of 316.36 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(4-methoxyphenyl)isoquinolin-3-amine is sourced from PubChem (CID 73386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).