6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one

C12H12N4O — CID 21276783

IUPAC6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCC1CC(=O)Nc2nc(N)c3ncccc3c21
InChIInChI=1S/C12H12N4O/c1-6-5-8(17)15-12-9(6)7-3-2-4-14-10(7)11(13)16-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17)
InChIKeyIJDOTPNQDOTBBJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.66
Rot. Bonds

About 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one

6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one (PubChem CID 21276783) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
PubChem CID21276783
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCC1CC(=O)Nc2nc(N)c3ncccc3c21
InChIInChI=1S/C12H12N4O/c1-6-5-8(17)15-12-9(6)7-3-2-4-14-10(7)11(13)16-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17)
InChIKeyIJDOTPNQDOTBBJ-UHFFFAOYSA-N
XLogP1.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The IUPAC name of 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one (CID 21276783) is 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one.
What is the SMILES notation for 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The canonical SMILES for 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one is CC1CC(=O)Nc2nc(N)c3ncccc3c21.
What is the InChIKey of 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
The InChIKey is IJDOTPNQDOTBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-6-5-8(17)15-12-9(6)7-3-2-4-14-10(7)11(13)16-12/h2-4,6H,5H2,1H3,(H3,13,15,16,17).
What are the key properties of 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one?
6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one has a molecular weight of 228.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one is sourced from PubChem (CID 21276783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).