6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

C13H16N4O — CID 21276756

IUPAC6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESCCNN1CC2=C(CNC(=O)C2)c2cccnc21
InChIInChI=1S/C13H16N4O/c1-2-16-17-8-9-6-12(18)15-7-11(9)10-4-3-5-14-13(10)17/h3-5,16H,2,6-8H2,1H3,(H,15,18)
InChIKeyYQQPCNPUQCPHQM-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.70
Rot. Bonds2

About 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one

6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (PubChem CID 21276756) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
PubChem CID21276756
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one
SMILESCCNN1CC2=C(CNC(=O)C2)c2cccnc21
InChIInChI=1S/C13H16N4O/c1-2-16-17-8-9-6-12(18)15-7-11(9)10-4-3-5-14-13(10)17/h3-5,16H,2,6-8H2,1H3,(H,15,18)
InChIKeyYQQPCNPUQCPHQM-UHFFFAOYSA-N
XLogP0.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The IUPAC name of 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one (CID 21276756) is 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one.
What is the SMILES notation for 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The canonical SMILES for 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is CCNN1CC2=C(CNC(=O)C2)c2cccnc21.
What is the InChIKey of 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
The InChIKey is YQQPCNPUQCPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-16-17-8-9-6-12(18)15-7-11(9)10-4-3-5-14-13(10)17/h3-5,16H,2,6-8H2,1H3,(H,15,18).
What are the key properties of 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one?
6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one has a molecular weight of 244.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1,2,4,5-tetrahydropyrido[4,3-c][1,8]naphthyridin-3-one is sourced from PubChem (CID 21276756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).