(10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one

C24H26N2O3 — CID 27878729

About (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one

(10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one (PubChem CID 27878729) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one.

Molecular Properties

• Compound Name: (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
• PubChem CID: 27878729
• Molecular Formula: C24H26N2O3
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.19
• IUPAC Name: (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
• SMILES: CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1
• InChI: InChI=1S/C24H26N2O3/c1-3-26(4-2)16-10-8-15(9-11-16)23-17-12-21-22(29-14-28-21)13-19(17)25-18-6-5-7-20(27)24(18)23/h8-13,23,25H,3-7,14H2,1-2H3/t23-/m1/s1
• InChIKey: HJDOVWQZUYNRHH-HSZRJFAPSA-N
• XLogP: 4.83
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?

The IUPAC name of (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one (CID 27878729) is (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one.

What is the SMILES notation for (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?

The canonical SMILES for (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one is CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1.

What is the InChIKey of (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?

The InChIKey is HJDOVWQZUYNRHH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-26(4-2)16-10-8-15(9-11-16)23-17-12-21-22(29-14-28-21)13-19(17)25-18-6-5-7-20(27)24(18)23/h8-13,23,25H,3-7,14H2,1-2H3/t23-/m1/s1.

What are the key properties of (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one?

(10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one has a molecular weight of 390.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one is sourced from PubChem (CID 27878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).