2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one

C23H24ClFN4O3 — CID 161302627

IUPAC2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2CNCC(=O)N1CCCCC1
InChIInChI=1S/C23H24ClFN4O3/c24-18-11-16(4-5-19(18)25)32-14-15-10-21(30)17-6-7-27-20(23(17)28-15)12-26-13-22(31)29-8-2-1-3-9-29/h4-7,11,26H,1-3,8-10,12-14H2
InChIKeyVHUZOOOZHQEFBD-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.71
Rot. Bonds7

About 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one (PubChem CID 161302627) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one
PubChem CID161302627
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2CNCC(=O)N1CCCCC1
InChIInChI=1S/C23H24ClFN4O3/c24-18-11-16(4-5-19(18)25)32-14-15-10-21(30)17-6-7-27-20(23(17)28-15)12-26-13-22(31)29-8-2-1-3-9-29/h4-7,11,26H,1-3,8-10,12-14H2
InChIKeyVHUZOOOZHQEFBD-UHFFFAOYSA-N
XLogP3.71
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one?
The IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one (CID 161302627) is 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one?
The canonical SMILES for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one is O=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2CNCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one?
The InChIKey is VHUZOOOZHQEFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c24-18-11-16(4-5-19(18)25)32-14-15-10-21(30)17-6-7-27-20(23(17)28-15)12-26-13-22(31)29-8-2-1-3-9-29/h4-7,11,26H,1-3,8-10,12-14H2.
What are the key properties of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one?
2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one has a molecular weight of 458.92 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one is sourced from PubChem (CID 161302627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).