7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine

C24H24N4O — CID 155926528

IUPAC7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
InChIInChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
InChIKeyVWEIPCRIPQWNJS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.12
Rot. Bonds8

About 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 155926528) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
PubChem CID155926528
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
InChIInChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
InChIKeyVWEIPCRIPQWNJS-UHFFFAOYSA-N
XLogP4.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine (CID 155926528) is 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine is Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1.
What is the InChIKey of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is VWEIPCRIPQWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28).
What are the key properties of 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 384.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 155926528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).