N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C20H18N4O — CID 73386762

IUPACN-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCOc1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)cc1
InChIInChI=1S/C20H18N4O/c1-24-13-15(12-22-24)18-5-3-4-14-11-21-20(10-19(14)18)23-16-6-8-17(25-2)9-7-16/h3-13H,1-2H3,(H,21,23)
InChIKeyKWKZSUFOPXVEEN-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

About N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 73386762) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID73386762
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCOc1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)cc1
InChIInChI=1S/C20H18N4O/c1-24-13-15(12-22-24)18-5-3-4-14-11-21-20(10-19(14)18)23-16-6-8-17(25-2)9-7-16/h3-13H,1-2H3,(H,21,23)
InChIKeyKWKZSUFOPXVEEN-UHFFFAOYSA-N
XLogP4.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 73386762) is N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is COc1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is KWKZSUFOPXVEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-13-15(12-22-24)18-5-3-4-14-11-21-20(10-19(14)18)23-16-6-8-17(25-2)9-7-16/h3-13H,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 73386762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).