5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one

C28H33N3O2 — CID 139669536

IUPAC5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)OC(=O)c3nccc(C)c32)cc1
InChIInChI=1S/C28H33N3O2/c1-6-30(7-2)23-14-10-21(11-15-23)28(22-12-16-24(17-13-22)31(8-3)9-4)25-20(5)18-19-29-26(25)27(32)33-28/h10-19H,6-9H2,1-5H3
InChIKeyYWSLWHYKMJHICP-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.54
Rot. Bonds8

About 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one

5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one (PubChem CID 139669536) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
PubChem CID139669536
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)OC(=O)c3nccc(C)c32)cc1
InChIInChI=1S/C28H33N3O2/c1-6-30(7-2)23-14-10-21(11-15-23)28(22-12-16-24(17-13-22)31(8-3)9-4)25-20(5)18-19-29-26(25)27(32)33-28/h10-19H,6-9H2,1-5H3
InChIKeyYWSLWHYKMJHICP-UHFFFAOYSA-N
XLogP5.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one
CID 20534319
5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
CID 139663973
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(diethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642782
1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642820
3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
CID 139642847
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(dimethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642804
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382
7-[4-(diethylamino)-2-methylphenyl]-7-[4-[ethyl(oxolan-2-ylmethyl)amino]phenyl]furo[3,4-b]pyridin-5-one
CID 139802330
3-[2,4-bis(diethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 54382194
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
6-[2,3-bis(3-octoxyphenyl)quinoxalin-5-yl]-3,3-bis[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 172813647
5-[4-(diethylamino)-2-pentoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
CID 14177724

Frequently Asked Questions

What is the IUPAC name of 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one?
The IUPAC name of 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one (CID 139669536) is 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one.
What is the SMILES notation for 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one?
The canonical SMILES for 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one is CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)OC(=O)c3nccc(C)c32)cc1.
What is the InChIKey of 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one?
The InChIKey is YWSLWHYKMJHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-6-30(7-2)23-14-10-21(11-15-23)28(22-12-16-24(17-13-22)31(8-3)9-4)25-20(5)18-19-29-26(25)27(32)33-28/h10-19H,6-9H2,1-5H3.
What are the key properties of 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one?
5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one has a molecular weight of 443.59 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one is sourced from PubChem (CID 139669536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).