3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine

C22H19N3O2 — CID 155559025

IUPAC3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine
SMILESCOCOc1ccc(-c2cc(-c3cccc4cccnc34)cnc2N)cc1
InChIInChI=1S/C22H19N3O2/c1-26-14-27-18-9-7-15(8-10-18)20-12-17(13-25-22(20)23)19-6-2-4-16-5-3-11-24-21(16)19/h2-13H,14H2,1H3,(H2,23,25)
InChIKeyYXSDLCGOFHSELV-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.53
Rot. Bonds5

About 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine

3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine (PubChem CID 155559025) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine
PubChem CID155559025
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine
SMILESCOCOc1ccc(-c2cc(-c3cccc4cccnc34)cnc2N)cc1
InChIInChI=1S/C22H19N3O2/c1-26-14-27-18-9-7-15(8-10-18)20-12-17(13-25-22(20)23)19-6-2-4-16-5-3-11-24-21(16)19/h2-13H,14H2,1H3,(H2,23,25)
InChIKeyYXSDLCGOFHSELV-UHFFFAOYSA-N
XLogP4.53
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine?
The IUPAC name of 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine (CID 155559025) is 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine.
What is the SMILES notation for 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine?
The canonical SMILES for 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine is COCOc1ccc(-c2cc(-c3cccc4cccnc34)cnc2N)cc1.
What is the InChIKey of 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine?
The InChIKey is YXSDLCGOFHSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-14-27-18-9-7-15(8-10-18)20-12-17(13-25-22(20)23)19-6-2-4-16-5-3-11-24-21(16)19/h2-13H,14H2,1H3,(H2,23,25).
What are the key properties of 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine?
3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine has a molecular weight of 357.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethoxy)phenyl]-5-quinolin-8-ylpyridin-2-amine is sourced from PubChem (CID 155559025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).