7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one

C26H30F2N4O4 — CID 72945050

IUPAC7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(CCN5CCOCC5)cc4c3C(C)(C)C2=O)c1F
InChIInChI=1S/C26H30F2N4O4/c1-26(2)20-15(13-29-24-17(20)11-16(30-24)5-6-31-7-9-36-10-8-31)14-32(25(26)33)23-21(27)18(34-3)12-19(35-4)22(23)28/h11-13H,5-10,14H2,1-4H3,(H,29,30)
InChIKeyJATFVWGCEMLNBH-UHFFFAOYSA-N
MW500.55 g/mol
LogP3.56
Rot. Bonds6

About 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one

7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one (PubChem CID 72945050) has the molecular formula C26H30F2N4O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one.

Molecular Properties

Compound Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
PubChem CID72945050
Molecular FormulaC26H30F2N4O4
Molecular Weight500.55 g/mol
Exact Mass500.22
IUPAC Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(CCN5CCOCC5)cc4c3C(C)(C)C2=O)c1F
InChIInChI=1S/C26H30F2N4O4/c1-26(2)20-15(13-29-24-17(20)11-16(30-24)5-6-31-7-9-36-10-8-31)14-32(25(26)33)23-21(27)18(34-3)12-19(35-4)22(23)28/h11-13H,5-10,14H2,1-4H3,(H,29,30)
InChIKeyJATFVWGCEMLNBH-UHFFFAOYSA-N
XLogP3.56
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one (CID 72945050) is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one.
What is the SMILES notation for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The canonical SMILES for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one is COc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(CCN5CCOCC5)cc4c3C(C)(C)C2=O)c1F.
What is the InChIKey of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The InChIKey is JATFVWGCEMLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O4/c1-26(2)20-15(13-29-24-17(20)11-16(30-24)5-6-31-7-9-36-10-8-31)14-32(25(26)33)23-21(27)18(34-3)12-19(35-4)22(23)28/h11-13H,5-10,14H2,1-4H3,(H,29,30).
What are the key properties of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one has a molecular weight of 500.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-2-(2-morpholin-4-ylethyl)-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one is sourced from PubChem (CID 72945050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).