3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one

C11H12N2O — CID 118005009

IUPAC3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2cc(C)cnc2[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-3-8-5-9-4-7(2)6-12-10(9)13-11(8)14/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyHFAMGGZTKVRTDP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one

3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one (PubChem CID 118005009) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
PubChem CID118005009
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2cc(C)cnc2[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-3-8-5-9-4-7(2)6-12-10(9)13-11(8)14/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyHFAMGGZTKVRTDP-UHFFFAOYSA-N
XLogP1.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one (CID 118005009) is 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one is CCc1cc2cc(C)cnc2[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one?
The InChIKey is HFAMGGZTKVRTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-8-5-9-4-7(2)6-12-10(9)13-11(8)14/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one?
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118005009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).