3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one

C21H22N2O4 — CID 15017612

About 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one

3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one (PubChem CID 15017612) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one.

Molecular Properties

• Compound Name: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one
• PubChem CID: 15017612
• Molecular Formula: C21H22N2O4
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.16
• IUPAC Name: 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one
• SMILES: CC(C)NCC(O)COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21
• InChI: InChI=1S/C21H22N2O4/c1-12(2)22-10-13(24)11-26-14-7-8-15-17(9-14)23-21(25)19-16-5-3-4-6-18(16)27-20(15)19/h3-9,12-13,22,24H,10-11H2,1-2H3,(H,23,25)
• InChIKey: MSNWCSMUJGLBRF-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 87.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one?

The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one (CID 15017612) is 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one.

What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one?

The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one is CC(C)NCC(O)COc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21.

What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one?

The InChIKey is MSNWCSMUJGLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12(2)22-10-13(24)11-26-14-7-8-15-17(9-14)23-21(25)19-16-5-3-4-6-18(16)27-20(15)19/h3-9,12-13,22,24H,10-11H2,1-2H3,(H,23,25).

What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one?

3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one has a molecular weight of 366.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one is sourced from PubChem (CID 15017612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).