3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine

C20H16N4O — CID 53312320

IUPAC3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4ncccc4c3)cnc2N)cn1
InChIInChI=1S/C20H16N4O/c1-25-19-7-5-15(11-23-19)17-10-16(12-24-20(17)21)13-4-6-18-14(9-13)3-2-8-22-18/h2-12H,1H3,(H2,21,24)
InChIKeyLPEJLBJOQQSAGF-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.95
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine (PubChem CID 53312320) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine
PubChem CID53312320
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4ncccc4c3)cnc2N)cn1
InChIInChI=1S/C20H16N4O/c1-25-19-7-5-15(11-23-19)17-10-16(12-24-20(17)21)13-4-6-18-14(9-13)3-2-8-22-18/h2-12H,1H3,(H2,21,24)
InChIKeyLPEJLBJOQQSAGF-UHFFFAOYSA-N
XLogP3.95
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine (CID 53312320) is 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine is COc1ccc(-c2cc(-c3ccc4ncccc4c3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine?
The InChIKey is LPEJLBJOQQSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-19-7-5-15(11-23-19)17-10-16(12-24-20(17)21)13-4-6-18-14(9-13)3-2-8-22-18/h2-12H,1H3,(H2,21,24).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-quinolin-6-ylpyridin-2-amine is sourced from PubChem (CID 53312320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).