methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate

C20H16N2O4 — CID 164866719

IUPACmethyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(C)cc2cc(Cn3ccc4ccncc4c3=O)oc12
InChIInChI=1S/C20H16N2O4/c1-12-7-14-9-15(26-18(14)16(8-12)20(24)25-2)11-22-6-4-13-3-5-21-10-17(13)19(22)23/h3-10H,11H2,1-2H3
InChIKeyAHRURKUTHRNMSX-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.29
Rot. Bonds3

About methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate

methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate (PubChem CID 164866719) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate
PubChem CID164866719
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Namemethyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(C)cc2cc(Cn3ccc4ccncc4c3=O)oc12
InChIInChI=1S/C20H16N2O4/c1-12-7-14-9-15(26-18(14)16(8-12)20(24)25-2)11-22-6-4-13-3-5-21-10-17(13)19(22)23/h3-10H,11H2,1-2H3
InChIKeyAHRURKUTHRNMSX-UHFFFAOYSA-N
XLogP3.29
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate;methyl 4-methylpyridine-3-carboxylate
CID 175764930
2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid
CID 164866707
methyl 5-chloro-2-[(5-oxopyrido[4,3-d]pyrimidin-6-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866738
methyl 2-[(4-oxopyrido[4,3-d]pyrimidin-3-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866425
2,2,2-trifluoroethyl 5-chloro-2-[(4-oxopyrido[4,3-d]pyrimidin-3-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866572
methyl 2,5-bis(chloromethyl)-1-benzofuran-7-carboxylate
CID 11701778
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
methyl 5-carbamoyl-2-[(5-oxo-1,2,6-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-6-yl)methyl]-1-benzofuran-7-carboxylate
CID 172552416
methyl 5-chloro-2-[(2H-[1,3]thiazolo[5,4-c]pyridine-1-carbonylamino)methyl]-1-benzofuran-7-carboxylate
CID 174222344
methyl 5-[[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate
CID 78812861
methyl 6,8-dimethyl-4-oxochromene-3-carboxylate
CID 170871809
methyl 1-oxo-2-pent-4-ynyl-2,6-naphthyridine-4-carboxylate
CID 167927596

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate (CID 164866719) is methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate is COC(=O)c1cc(C)cc2cc(Cn3ccc4ccncc4c3=O)oc12.
What is the InChIKey of methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate?
The InChIKey is AHRURKUTHRNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12-7-14-9-15(26-18(14)16(8-12)20(24)25-2)11-22-6-4-13-3-5-21-10-17(13)19(22)23/h3-10H,11H2,1-2H3.
What are the key properties of methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate?
methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate is sourced from PubChem (CID 164866719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).