3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

C20H16FNO4 — CID 8741320

IUPAC3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1ccc(F)cc1)c(=O)oc1ccccc12
InChIInChI=1S/C20H16FNO4/c1-24-11-10-22-19-16(12-6-8-13(21)9-7-12)17-18(26-19)14-4-2-3-5-15(14)25-20(17)23/h2-9,22H,10-11H2,1H3
InChIKeyKCQYHXVHPKRZNY-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.40
Rot. Bonds5

About 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one

3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (PubChem CID 8741320) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
PubChem CID8741320
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
SMILESCOCCNc1oc2c(c1-c1ccc(F)cc1)c(=O)oc1ccccc12
InChIInChI=1S/C20H16FNO4/c1-24-11-10-22-19-16(12-6-8-13(21)9-7-12)17-18(26-19)14-4-2-3-5-15(14)25-20(17)23/h2-9,22H,10-11H2,1H3
InChIKeyKCQYHXVHPKRZNY-UHFFFAOYSA-N
XLogP4.40
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one (CID 8741320) is 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is COCCNc1oc2c(c1-c1ccc(F)cc1)c(=O)oc1ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
The InChIKey is KCQYHXVHPKRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-24-11-10-22-19-16(12-6-8-13(21)9-7-12)17-18(26-19)14-4-2-3-5-15(14)25-20(17)23/h2-9,22H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one?
3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one has a molecular weight of 353.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 8741320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).