4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione

C23H24N2O4 — CID 157101511

IUPAC4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione
SMILESO=C1CCC(c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C23H24N2O4/c26-15-3-4-16(20(27)13-15)18-14-29-21-7-6-19-17(23(18)21)5-8-22(24-19)28-12-11-25-9-1-2-10-25/h5-8,14,16H,1-4,9-13H2
InChIKeyQNGPAGRVNAPWEJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.86
Rot. Bonds5

About 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione

4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione (PubChem CID 157101511) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione
PubChem CID157101511
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione
SMILESO=C1CCC(c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C23H24N2O4/c26-15-3-4-16(20(27)13-15)18-14-29-21-7-6-19-17(23(18)21)5-8-22(24-19)28-12-11-25-9-1-2-10-25/h5-8,14,16H,1-4,9-13H2
InChIKeyQNGPAGRVNAPWEJ-UHFFFAOYSA-N
XLogP3.86
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione?
The IUPAC name of 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione (CID 157101511) is 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione.
What is the SMILES notation for 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione?
The canonical SMILES for 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione is O=C1CCC(c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)C1.
What is the InChIKey of 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione?
The InChIKey is QNGPAGRVNAPWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-15-3-4-16(20(27)13-15)18-14-29-21-7-6-19-17(23(18)21)5-8-22(24-19)28-12-11-25-9-1-2-10-25/h5-8,14,16H,1-4,9-13H2.
What are the key properties of 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione?
4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione has a molecular weight of 392.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 157101511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).