2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone

C25H24N6O3 — CID 90025381

IUPAC2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone
SMILESO=C(CNCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1
InChIInChI=1S/C25H24N6O3/c32-23(15-26-16-25(33)31-11-1-2-12-31)22-6-3-17-13-19(5-7-20(17)29-22)34-24-8-4-18(14-27-24)21-9-10-28-30-21/h3-10,13-14,26H,1-2,11-12,15-16H2,(H,28,30)
InChIKeyMIIUCTDVXZXMCK-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.21
Rot. Bonds8

About 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone

2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone (PubChem CID 90025381) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone
PubChem CID90025381
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone
SMILESO=C(CNCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1
InChIInChI=1S/C25H24N6O3/c32-23(15-26-16-25(33)31-11-1-2-12-31)22-6-3-17-13-19(5-7-20(17)29-22)34-24-8-4-18(14-27-24)21-9-10-28-30-21/h3-10,13-14,26H,1-2,11-12,15-16H2,(H,28,30)
InChIKeyMIIUCTDVXZXMCK-UHFFFAOYSA-N
XLogP3.21
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone?
The IUPAC name of 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone (CID 90025381) is 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone.
What is the SMILES notation for 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone?
The canonical SMILES for 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone is O=C(CNCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.
What is the InChIKey of 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone?
The InChIKey is MIIUCTDVXZXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c32-23(15-26-16-25(33)31-11-1-2-12-31)22-6-3-17-13-19(5-7-20(17)29-22)34-24-8-4-18(14-27-24)21-9-10-28-30-21/h3-10,13-14,26H,1-2,11-12,15-16H2,(H,28,30).
What are the key properties of 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone?
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone has a molecular weight of 456.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethanone is sourced from PubChem (CID 90025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).