7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one

C35H41N3O4 — CID 20622255

About 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one

7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one (PubChem CID 20622255) has the molecular formula C35H41N3O4 and a molecular weight of 567.73 g/mol. Its IUPAC name is 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
• PubChem CID: 20622255
• Molecular Formula: C35H41N3O4
• Molecular Weight: 567.73 g/mol
• Exact Mass: 567.31
• IUPAC Name: 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
• SMILES: CCOc1cc(N(CC)CC)ccc1C1(c2c(OCC)cc(N(CC)CC)c3ccccc23)OC(=O)c2cccnc21
• InChI: InChI=1S/C35H41N3O4/c1-7-37(8-2)24-19-20-28(30(22-24)40-11-5)35(33-27(34(39)42-35)18-15-21-36-33)32-26-17-14-13-16-25(26)29(38(9-3)10-4)23-31(32)41-12-6/h13-23H,7-12H2,1-6H3
• InChIKey: CWBHXBDIBBOMLS-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.73
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?

The IUPAC name of 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one (CID 20622255) is 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one.

What is the SMILES notation for 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?

The canonical SMILES for 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one is CCOc1cc(N(CC)CC)ccc1C1(c2c(OCC)cc(N(CC)CC)c3ccccc23)OC(=O)c2cccnc21.

What is the InChIKey of 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?

The InChIKey is CWBHXBDIBBOMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O4/c1-7-37(8-2)24-19-20-28(30(22-24)40-11-5)35(33-27(34(39)42-35)18-15-21-36-33)32-26-17-14-13-16-25(26)29(38(9-3)10-4)23-31(32)41-12-6/h13-23H,7-12H2,1-6H3.

What are the key properties of 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one?

7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one has a molecular weight of 567.73 g/mol, XLogP of 7.19, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(diethylamino)-2-ethoxynaphthalen-1-yl]-7-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20622255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).