4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

C23H28N4O3 — CID 155026850

IUPAC4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCC1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C23H28N4O3/c1-24-11-16-6-8-27(16)14-20-21(29-3)9-15(10-22(20)30-4)19-13-26(2)23(28)18-12-25-7-5-17(18)19/h5,7,9-10,12-13,16,24H,6,8,11,14H2,1-4H3
InChIKeyVFVIRBSVSWLWGI-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.41
Rot. Bonds7

About 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 155026850) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID155026850
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCC1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C23H28N4O3/c1-24-11-16-6-8-27(16)14-20-21(29-3)9-15(10-22(20)30-4)19-13-26(2)23(28)18-12-25-7-5-17(18)19/h5,7,9-10,12-13,16,24H,6,8,11,14H2,1-4H3
InChIKeyVFVIRBSVSWLWGI-UHFFFAOYSA-N
XLogP2.41
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 155026850) is 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is CNCC1CCN1Cc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is VFVIRBSVSWLWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-24-11-16-6-8-27(16)14-20-21(29-3)9-15(10-22(20)30-4)19-13-26(2)23(28)18-12-25-7-5-17(18)19/h5,7,9-10,12-13,16,24H,6,8,11,14H2,1-4H3.
What are the key properties of 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 408.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 155026850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).