7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one

C31H39N3O4 — CID 139612004

IUPAC7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
SMILESCCc1cnc2c(c1)C(=O)OC2(c1ccc(N(CC)CC)cc1OC)c1ccc(N(CC)CC)cc1OC
InChIInChI=1S/C31H39N3O4/c1-8-21-17-24-29(32-20-21)31(38-30(24)35,25-15-13-22(18-27(25)36-6)33(9-2)10-3)26-16-14-23(19-28(26)37-7)34(11-4)12-5/h13-20H,8-12H2,1-7H3
InChIKeyWEYQIFDOJNTMMV-UHFFFAOYSA-N
MW517.67 g/mol
LogP5.82
Rot. Bonds11

About 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one

7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one (PubChem CID 139612004) has the molecular formula C31H39N3O4 and a molecular weight of 517.67 g/mol. Its IUPAC name is 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
PubChem CID139612004
Molecular FormulaC31H39N3O4
Molecular Weight517.67 g/mol
Exact Mass517.29
IUPAC Name7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
SMILESCCc1cnc2c(c1)C(=O)OC2(c1ccc(N(CC)CC)cc1OC)c1ccc(N(CC)CC)cc1OC
InChIInChI=1S/C31H39N3O4/c1-8-21-17-24-29(32-20-21)31(38-30(24)35,25-15-13-22(18-27(25)36-6)33(9-2)10-3)26-16-14-23(19-28(26)37-7)34(11-4)12-5/h13-20H,8-12H2,1-7H3
InChIKeyWEYQIFDOJNTMMV-UHFFFAOYSA-N
XLogP5.82
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.82
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

7,7-bis[4-(dibutylamino)-2-methylphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
CID 139611997
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 139834048
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
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 68847413
7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 20622255
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 22283915
5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
CID 139663973
7-[4-(diethylamino)-2-(3-methylbutoxy)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 14177718
7-[4-(diethylamino)-2-ethoxyphenyl]-7-(2-ethyl-1-octylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 18998081
7-[2-butoxy-4-(diethylamino)phenyl]-7-(1-methyl-2-phenylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139885391
6'-(diethylamino)-2'-(4-ethyl-N-(4-ethylphenyl)anilino)-3'-propoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139834771

Frequently Asked Questions

What is the IUPAC name of 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one (CID 139612004) is 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one is CCc1cnc2c(c1)C(=O)OC2(c1ccc(N(CC)CC)cc1OC)c1ccc(N(CC)CC)cc1OC.
What is the InChIKey of 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one?
The InChIKey is WEYQIFDOJNTMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O4/c1-8-21-17-24-29(32-20-21)31(38-30(24)35,25-15-13-22(18-27(25)36-6)33(9-2)10-3)26-16-14-23(19-28(26)37-7)34(11-4)12-5/h13-20H,8-12H2,1-7H3.
What are the key properties of 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one?
7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one has a molecular weight of 517.67 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis[4-(diethylamino)-2-methoxyphenyl]-3-ethylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 139612004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).