1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one

C14H18N2O — CID 20583079

IUPAC1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one
SMILESCc1nc(C)c2c(c1C)c(=O)c(C)c(C)n2C
InChIInChI=1S/C14H18N2O/c1-7-9(3)15-10(4)13-12(7)14(17)8(2)11(5)16(13)6/h1-6H3
InChIKeyIFDSYAOEAWNBEL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds

About 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one

1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one (PubChem CID 20583079) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one
PubChem CID20583079
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one
SMILESCc1nc(C)c2c(c1C)c(=O)c(C)c(C)n2C
InChIInChI=1S/C14H18N2O/c1-7-9(3)15-10(4)13-12(7)14(17)8(2)11(5)16(13)6/h1-6H3
InChIKeyIFDSYAOEAWNBEL-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one?
The IUPAC name of 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one (CID 20583079) is 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one.
What is the SMILES notation for 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one?
The canonical SMILES for 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one is Cc1nc(C)c2c(c1C)c(=O)c(C)c(C)n2C.
What is the InChIKey of 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one?
The InChIKey is IFDSYAOEAWNBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-7-9(3)15-10(4)13-12(7)14(17)8(2)11(5)16(13)6/h1-6H3.
What are the key properties of 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one?
1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one is sourced from PubChem (CID 20583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).