6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

C19H16FN5O2 — CID 146591763

IUPAC6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
InChIInChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)
InChIKeyCLEFVPILGAPOTG-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.97
Rot. Bonds4

About 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (PubChem CID 146591763) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
PubChem CID146591763
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
InChIInChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)
InChIKeyCLEFVPILGAPOTG-UHFFFAOYSA-N
XLogP2.97
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The IUPAC name of 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (CID 146591763) is 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is CC(Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1.
What is the InChIKey of 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
The InChIKey is CLEFVPILGAPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26).
What are the key properties of 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?
6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one has a molecular weight of 365.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 146591763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).