4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C13H12N4O2 — CID 138518166

IUPAC4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C13H12N4O2/c14-7-10-12(17-3-5-19-6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18)
InChIKeySEHJDLLEUMGROF-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.63
Rot. Bonds1

About 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518166) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518166
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C13H12N4O2/c14-7-10-12(17-3-5-19-6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18)
InChIKeySEHJDLLEUMGROF-UHFFFAOYSA-N
XLogP0.63
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518166) is 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCOCC2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is SEHJDLLEUMGROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-7-10-12(17-3-5-19-6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18).
What are the key properties of 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).