10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]

C25H22N2O3 — CID 71103399

IUPAC10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
SMILESCOc1ccc2c(n1)C1(CO2)c2ccccc2N(CC2CC=CO2)c2ccccc21
InChIInChI=1S/C25H22N2O3/c1-28-23-13-12-22-24(26-23)25(16-30-22)18-8-2-4-10-20(18)27(15-17-7-6-14-29-17)21-11-5-3-9-19(21)25/h2-6,8-14,17H,7,15-16H2,1H3
InChIKeyNRYQTXHHYNQUTC-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.57
Rot. Bonds3

About 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]

10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] (PubChem CID 71103399) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine].

Molecular Properties

Compound Name10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
PubChem CID71103399
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
SMILESCOc1ccc2c(n1)C1(CO2)c2ccccc2N(CC2CC=CO2)c2ccccc21
InChIInChI=1S/C25H22N2O3/c1-28-23-13-12-22-24(26-23)25(16-30-22)18-8-2-4-10-20(18)27(15-17-7-6-14-29-17)21-11-5-3-9-19(21)25/h2-6,8-14,17H,7,15-16H2,1H3
InChIKeyNRYQTXHHYNQUTC-UHFFFAOYSA-N
XLogP4.57
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The IUPAC name of 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] (CID 71103399) is 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine].
What is the SMILES notation for 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The canonical SMILES for 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] is COc1ccc2c(n1)C1(CO2)c2ccccc2N(CC2CC=CO2)c2ccccc21.
What is the InChIKey of 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The InChIKey is NRYQTXHHYNQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-28-23-13-12-22-24(26-23)25(16-30-22)18-8-2-4-10-20(18)27(15-17-7-6-14-29-17)21-11-5-3-9-19(21)25/h2-6,8-14,17H,7,15-16H2,1H3.
What are the key properties of 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] has a molecular weight of 398.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine] is sourced from PubChem (CID 71103399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).