7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one

C18H15F2N3O3 — CID 72946766

IUPAC7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3CC2=O)c1F
InChIInChI=1S/C18H15F2N3O3/c1-25-12-6-13(26-2)16(20)17(15(12)19)23-8-9-7-22-18-10(3-4-21-18)11(9)5-14(23)24/h3-4,6-7H,5,8H2,1-2H3,(H,21,22)
InChIKeyUGGWYKMZJKRVBL-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.95
Rot. Bonds3

About 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one

7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one (PubChem CID 72946766) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one.

Molecular Properties

Compound Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one
PubChem CID72946766
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3CC2=O)c1F
InChIInChI=1S/C18H15F2N3O3/c1-25-12-6-13(26-2)16(20)17(15(12)19)23-8-9-7-22-18-10(3-4-21-18)11(9)5-14(23)24/h3-4,6-7H,5,8H2,1-2H3,(H,21,22)
InChIKeyUGGWYKMZJKRVBL-UHFFFAOYSA-N
XLogP2.95
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one?
The IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one (CID 72946766) is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one.
What is the SMILES notation for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one?
The canonical SMILES for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one is COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3CC2=O)c1F.
What is the InChIKey of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one?
The InChIKey is UGGWYKMZJKRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-25-12-6-13(26-2)16(20)17(15(12)19)23-8-9-7-22-18-10(3-4-21-18)11(9)5-14(23)24/h3-4,6-7H,5,8H2,1-2H3,(H,21,22).
What are the key properties of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one?
7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one has a molecular weight of 359.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-6,9-dihydro-3H-pyrrolo[2,3-c][2,7]naphthyridin-8-one is sourced from PubChem (CID 72946766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).