3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine

C26H20N4O — CID 70246134

IUPAC3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine
SMILESCc1ncccc1Oc1ccc(-c2cc3c(-c4ccccc4)cccc3c(N)n2)cn1
InChIInChI=1S/C26H20N4O/c1-17-24(11-6-14-28-17)31-25-13-12-19(16-29-25)23-15-22-20(18-7-3-2-4-8-18)9-5-10-21(22)26(27)30-23/h2-16H,1H3,(H2,27,30)
InChIKeyRZDMOFAEXQFNBA-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.04
Rot. Bonds4

About 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine

3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine (PubChem CID 70246134) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine.

Molecular Properties

Compound Name3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine
PubChem CID70246134
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine
SMILESCc1ncccc1Oc1ccc(-c2cc3c(-c4ccccc4)cccc3c(N)n2)cn1
InChIInChI=1S/C26H20N4O/c1-17-24(11-6-14-28-17)31-25-13-12-19(16-29-25)23-15-22-20(18-7-3-2-4-8-18)9-5-10-21(22)26(27)30-23/h2-16H,1H3,(H2,27,30)
InChIKeyRZDMOFAEXQFNBA-UHFFFAOYSA-N
XLogP6.04
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenylisoquinolin-1-amine
CID 58517503
5-methyl-2-(2-phenylphenoxy)pyridin-4-amine
CID 83269682
7-phenyl-1,6-naphthyridin-5-amine
CID 23467608
7-(2-methyl-3-pyridinyl)-1,6-naphthyridin-5-amine
CID 23467683
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
3-(1-methylisoquinolin-5-yl)aniline
CID 143050225
5-methyl-2-(2-phenylphenoxy)pyridin-3-amine
CID 66278690
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-(2-phenylphenoxy)pyridine-3-carbaldehyde
CID 80631698
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine?
The IUPAC name of 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine (CID 70246134) is 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine.
What is the SMILES notation for 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine?
The canonical SMILES for 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine is Cc1ncccc1Oc1ccc(-c2cc3c(-c4ccccc4)cccc3c(N)n2)cn1.
What is the InChIKey of 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine?
The InChIKey is RZDMOFAEXQFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c1-17-24(11-6-14-28-17)31-25-13-12-19(16-29-25)23-15-22-20(18-7-3-2-4-8-18)9-5-10-21(22)26(27)30-23/h2-16H,1H3,(H2,27,30).
What are the key properties of 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine?
3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine has a molecular weight of 404.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-phenylisoquinolin-1-amine is sourced from PubChem (CID 70246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).