9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one

C11H13N5O2 — CID 178157315

IUPAC9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one
SMILESCN1CCOc2c1ncc1[nH]c(=O)c(N)c(N)c21
InChIInChI=1S/C11H13N5O2/c1-16-2-3-18-9-6-5(4-14-10(9)16)15-11(17)8(13)7(6)12/h4H,2-3,13H2,1H3,(H3,12,15,17)
InChIKeyIOBQCXIQYPHVKV-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.08
Rot. Bonds

About 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one

9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one (PubChem CID 178157315) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one.

Molecular Properties

Compound Name9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one
PubChem CID178157315
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one
SMILESCN1CCOc2c1ncc1[nH]c(=O)c(N)c(N)c21
InChIInChI=1S/C11H13N5O2/c1-16-2-3-18-9-6-5(4-14-10(9)16)15-11(17)8(13)7(6)12/h4H,2-3,13H2,1H3,(H3,12,15,17)
InChIKeyIOBQCXIQYPHVKV-UHFFFAOYSA-N
XLogP-0.08
TPSA110.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one?
The IUPAC name of 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one (CID 178157315) is 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one.
What is the SMILES notation for 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one?
The canonical SMILES for 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one is CN1CCOc2c1ncc1[nH]c(=O)c(N)c(N)c21.
What is the InChIKey of 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one?
The InChIKey is IOBQCXIQYPHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-2-3-18-9-6-5(4-14-10(9)16)15-11(17)8(13)7(6)12/h4H,2-3,13H2,1H3,(H3,12,15,17).
What are the key properties of 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one?
9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one has a molecular weight of 247.26 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diamino-4-methyl-3,7-dihydro-2H-[1,4]oxazino[2,3-f][1,7]naphthyridin-8-one is sourced from PubChem (CID 178157315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).