3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C12H19N3O2 — CID 82466790

IUPAC3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C12H19N3O2/c1-14-4-3-11-9(8-14)7-10(13)12(16)15(11)5-6-17-2/h7H,3-6,8,13H2,1-2H3
InChIKeyUDOGDDLQCYALOD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.06
Rot. Bonds3

About 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82466790) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82466790
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C12H19N3O2/c1-14-4-3-11-9(8-14)7-10(13)12(16)15(11)5-6-17-2/h7H,3-6,8,13H2,1-2H3
InChIKeyUDOGDDLQCYALOD-UHFFFAOYSA-N
XLogP0.06
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82466790) is 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is COCCn1c2c(cc(N)c1=O)CN(C)CC2.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is UDOGDDLQCYALOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-4-3-11-9(8-14)7-10(13)12(16)15(11)5-6-17-2/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82466790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).