5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one

C20H23N3O3 — CID 127051726

IUPAC5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
SMILESCOc1cc(-c2cn(C)c(=O)c3ncccc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)19-14(15)7-6-8-21-19/h6-10,12H,11H2,1-5H3
InChIKeyMTMDVAIOWKVHEN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.68
Rot. Bonds5

About 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one (PubChem CID 127051726) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
PubChem CID127051726
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
SMILESCOc1cc(-c2cn(C)c(=O)c3ncccc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)19-14(15)7-6-8-21-19/h6-10,12H,11H2,1-5H3
InChIKeyMTMDVAIOWKVHEN-UHFFFAOYSA-N
XLogP2.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one (CID 127051726) is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one is COc1cc(-c2cn(C)c(=O)c3ncccc23)cc(OC)c1CN(C)C.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is MTMDVAIOWKVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)19-14(15)7-6-8-21-19/h6-10,12H,11H2,1-5H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one?
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 353.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 127051726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).