3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one

C31H41N5O2 — CID 139642806

IUPAC3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3N(C)C)OC(=O)c3ccncc32)c(N(C)C)c1
InChIInChI=1S/C31H41N5O2/c1-9-35(10-2)22-13-15-25(28(19-22)33(5)6)31(27-21-32-18-17-24(27)30(37)38-31)26-16-14-23(36(11-3)12-4)20-29(26)34(7)8/h13-21H,9-12H2,1-8H3
InChIKeyDFVMMKQSHJADET-UHFFFAOYSA-N
MW515.70 g/mol
LogP5.37
Rot. Bonds10

About 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one

3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one (PubChem CID 139642806) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one
PubChem CID139642806
Molecular FormulaC31H41N5O2
Molecular Weight515.70 g/mol
Exact Mass515.33
IUPAC Name3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3N(C)C)OC(=O)c3ccncc32)c(N(C)C)c1
InChIInChI=1S/C31H41N5O2/c1-9-35(10-2)22-13-15-25(28(19-22)33(5)6)31(27-21-32-18-17-24(27)30(37)38-31)26-16-14-23(36(11-3)12-4)20-29(26)34(7)8/h13-21H,9-12H2,1-8H3
InChIKeyDFVMMKQSHJADET-UHFFFAOYSA-N
XLogP5.37
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
CID 139642847
3-[4-(diethylamino)-2-ethoxyphenyl]-3-[4-(diethylamino)-2-propoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669641
3-[2-chloro-4-(diethylamino)phenyl]-3-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669640
1,1-bis[2-(chloromethyl)-4-(diethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642810
1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642820
3-[4-(diethylamino)-2-methylphenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-c]pyridin-1-one
CID 20534311
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
3,3-bis(4-amino-2,3-diethylphenyl)-6-(diethylamino)-2-benzofuran-1-one
CID 69026159
3,3-bis[4-(dibutylamino)-2-methylphenyl]-2-benzofuran-1-one;3,3-bis[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 157114567
3-[2-butoxy-4-(diethylamino)phenyl]-3-(2-methyl-1-pentylindol-3-yl)furo[3,4-c]pyridin-1-one
CID 139669632
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 90471691

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one?
The IUPAC name of 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one (CID 139642806) is 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one.
What is the SMILES notation for 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one?
The canonical SMILES for 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one is CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3N(C)C)OC(=O)c3ccncc32)c(N(C)C)c1.
What is the InChIKey of 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one?
The InChIKey is DFVMMKQSHJADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-9-35(10-2)22-13-15-25(28(19-22)33(5)6)31(27-21-32-18-17-24(27)30(37)38-31)26-16-14-23(36(11-3)12-4)20-29(26)34(7)8/h13-21H,9-12H2,1-8H3.
What are the key properties of 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one?
3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one has a molecular weight of 515.70 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139642806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).