5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one

C20H20N4O4 — CID 76687157

IUPAC5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(NCC3CNC(=O)O3)n2)cc1OC
InChIInChI=1S/C20H20N4O4/c1-26-17-6-5-12(8-18(17)27-2)15-9-16-14(4-3-7-21-16)19(24-15)22-10-13-11-23-20(25)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNSLABESGQJPADZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.83
Rot. Bonds6

About 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one

5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 76687157) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
PubChem CID76687157
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(NCC3CNC(=O)O3)n2)cc1OC
InChIInChI=1S/C20H20N4O4/c1-26-17-6-5-12(8-18(17)27-2)15-9-16-14(4-3-7-21-16)19(24-15)22-10-13-11-23-20(25)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNSLABESGQJPADZ-UHFFFAOYSA-N
XLogP2.83
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one (CID 76687157) is 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one is COc1ccc(-c2cc3ncccc3c(NCC3CNC(=O)O3)n2)cc1OC.
What is the InChIKey of 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NSLABESGQJPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-17-6-5-12(8-18(17)27-2)15-9-16-14(4-3-7-21-16)19(24-15)22-10-13-11-23-20(25)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 380.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 76687157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).