5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one

C16H20N4O3 — CID 5481691

IUPAC5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(N3CCOCC3)cc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C16H20N4O3/c21-15-2-1-12-13(19-3-7-22-8-4-19)11-14(17-16(12)18-15)20-5-9-23-10-6-20/h1-2,11H,3-10H2,(H,17,18,21)
InChIKeySONQXUBFESJTBT-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.60
Rot. Bonds2

About 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one

5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one (PubChem CID 5481691) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one
PubChem CID5481691
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(N3CCOCC3)cc(N3CCOCC3)nc2[nH]1
InChIInChI=1S/C16H20N4O3/c21-15-2-1-12-13(19-3-7-22-8-4-19)11-14(17-16(12)18-15)20-5-9-23-10-6-20/h1-2,11H,3-10H2,(H,17,18,21)
InChIKeySONQXUBFESJTBT-UHFFFAOYSA-N
XLogP0.60
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one (CID 5481691) is 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one is O=c1ccc2c(N3CCOCC3)cc(N3CCOCC3)nc2[nH]1.
What is the InChIKey of 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is SONQXUBFESJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15-2-1-12-13(19-3-7-22-8-4-19)11-14(17-16(12)18-15)20-5-9-23-10-6-20/h1-2,11H,3-10H2,(H,17,18,21).
What are the key properties of 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one?
5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 316.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 5481691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).