2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

C13H14N2O — CID 142873431

IUPAC2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCN1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C13H14N2O/c1-15-7-6-12-11(8-15)9-4-2-3-5-10(9)13(16)14-12/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyMCIXYGKETDESGL-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds

About 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (PubChem CID 142873431) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
PubChem CID142873431
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESCN1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C13H14N2O/c1-15-7-6-12-11(8-15)9-4-2-3-5-10(9)13(16)14-12/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyMCIXYGKETDESGL-UHFFFAOYSA-N
XLogP1.52
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The IUPAC name of 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (CID 142873431) is 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.
What is the SMILES notation for 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The canonical SMILES for 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is CN1CCc2[nH]c(=O)c3ccccc3c2C1.
What is the InChIKey of 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The InChIKey is MCIXYGKETDESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-7-6-12-11(8-15)9-4-2-3-5-10(9)13(16)14-12/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one has a molecular weight of 214.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is sourced from PubChem (CID 142873431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).