4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one

C18H18N2O2 — CID 54694328

IUPAC4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C)c(-c2c(O)c3cccnc3n(C)c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-10-8-11(2)14(12(3)9-10)15-16(21)13-6-5-7-19-17(13)20(4)18(15)22/h5-9,21H,1-4H3
InChIKeyXJIZTQKXLNQKIA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds1

About 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one

4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one (PubChem CID 54694328) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one
PubChem CID54694328
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C)c(-c2c(O)c3cccnc3n(C)c2=O)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-10-8-11(2)14(12(3)9-10)15-16(21)13-6-5-7-19-17(13)20(4)18(15)22/h5-9,21H,1-4H3
InChIKeyXJIZTQKXLNQKIA-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one (CID 54694328) is 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one is Cc1cc(C)c(-c2c(O)c3cccnc3n(C)c2=O)c(C)c1.
What is the InChIKey of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one?
The InChIKey is XJIZTQKXLNQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10-8-11(2)14(12(3)9-10)15-16(21)13-6-5-7-19-17(13)20(4)18(15)22/h5-9,21H,1-4H3.
What are the key properties of 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one?
4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 54694328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).