5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one

C14H18N2O — CID 19093685

IUPAC5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one
SMILESCCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1
InChIInChI=1S/C14H18N2O/c1-5-10-7-12-13(11(6-2)15-10)8(3)9(4)14(17)16-12/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyGQEYXAQYANYHRF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.66
Rot. Bonds2

About 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one

5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one (PubChem CID 19093685) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one
PubChem CID19093685
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one
SMILESCCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1
InChIInChI=1S/C14H18N2O/c1-5-10-7-12-13(11(6-2)15-10)8(3)9(4)14(17)16-12/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyGQEYXAQYANYHRF-UHFFFAOYSA-N
XLogP2.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one (CID 19093685) is 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one is CCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1.
What is the InChIKey of 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one?
The InChIKey is GQEYXAQYANYHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-10-7-12-13(11(6-2)15-10)8(3)9(4)14(17)16-12/h7H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one?
5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 19093685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).