2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine

C25H27N5O2 — CID 72949491

IUPAC2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine
SMILESc1cc(-c2ccc(Oc3ccc4nc(CNCCC5CCOCC5)ccc4c3)nc2)[nH]n1
InChIInChI=1S/C25H27N5O2/c1-3-21(17-26-11-7-18-9-13-31-14-10-18)29-23-5-4-22(15-19(1)23)32-25-6-2-20(16-27-25)24-8-12-28-30-24/h1-6,8,12,15-16,18,26H,7,9-11,13-14,17H2,(H,28,30)
InChIKeyWDONRUYPLRBWNY-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.72
Rot. Bonds8

About 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine

2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine (PubChem CID 72949491) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine
PubChem CID72949491
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine
SMILESc1cc(-c2ccc(Oc3ccc4nc(CNCCC5CCOCC5)ccc4c3)nc2)[nH]n1
InChIInChI=1S/C25H27N5O2/c1-3-21(17-26-11-7-18-9-13-31-14-10-18)29-23-5-4-22(15-19(1)23)32-25-6-2-20(16-27-25)24-8-12-28-30-24/h1-6,8,12,15-16,18,26H,7,9-11,13-14,17H2,(H,28,30)
InChIKeyWDONRUYPLRBWNY-UHFFFAOYSA-N
XLogP4.72
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine?
The IUPAC name of 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine (CID 72949491) is 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine is c1cc(-c2ccc(Oc3ccc4nc(CNCCC5CCOCC5)ccc4c3)nc2)[nH]n1.
What is the InChIKey of 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine?
The InChIKey is WDONRUYPLRBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-3-21(17-26-11-7-18-9-13-31-14-10-18)29-23-5-4-22(15-19(1)23)32-25-6-2-20(16-27-25)24-8-12-28-30-24/h1-6,8,12,15-16,18,26H,7,9-11,13-14,17H2,(H,28,30).
What are the key properties of 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine?
2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine has a molecular weight of 429.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]ethanamine is sourced from PubChem (CID 72949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).