methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate

C20H19F2N3O5 — CID 86301311

IUPACmethyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1
InChIInChI=1S/C20H19F2N3O5/c1-28-12-7-13(29-2)16(22)17(15(12)21)25-9-10-8-23-14(24-19(27)30-3)6-11(10)20(4-5-20)18(25)26/h6-8H,4-5,9H2,1-3H3,(H,23,24,27)
InChIKeyXNPFFUMEQYIEGJ-UHFFFAOYSA-N
MW419.38 g/mol
LogP3.13
Rot. Bonds4

About methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate

methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate (PubChem CID 86301311) has the molecular formula C20H19F2N3O5 and a molecular weight of 419.38 g/mol. Its IUPAC name is methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate
PubChem CID86301311
Molecular FormulaC20H19F2N3O5
Molecular Weight419.38 g/mol
Exact Mass419.13
IUPAC Namemethyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate
SMILESCOC(=O)Nc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1
InChIInChI=1S/C20H19F2N3O5/c1-28-12-7-13(29-2)16(22)17(15(12)21)25-9-10-8-23-14(24-19(27)30-3)6-11(10)20(4-5-20)18(25)26/h6-8H,4-5,9H2,1-3H3,(H,23,24,27)
InChIKeyXNPFFUMEQYIEGJ-UHFFFAOYSA-N
XLogP3.13
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate?
The IUPAC name of methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate (CID 86301311) is methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate.
What is the SMILES notation for methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate?
The canonical SMILES for methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate is COC(=O)Nc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1.
What is the InChIKey of methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate?
The InChIKey is XNPFFUMEQYIEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O5/c1-28-12-7-13(29-2)16(22)17(15(12)21)25-9-10-8-23-14(24-19(27)30-3)6-11(10)20(4-5-20)18(25)26/h6-8H,4-5,9H2,1-3H3,(H,23,24,27).
What are the key properties of methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate?
methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate has a molecular weight of 419.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]carbamate is sourced from PubChem (CID 86301311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).