9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one

C21H19NO3 — CID 42631577

IUPAC9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one
SMILESO=c1c2ccccc2n(CCCCOc2ccccc2)c2occc12
InChIInChI=1S/C21H19NO3/c23-20-17-10-4-5-11-19(17)22(21-18(20)12-15-25-21)13-6-7-14-24-16-8-2-1-3-9-16/h1-5,8-12,15H,6-7,13-14H2
InChIKeyWYESUWPLPOVMCI-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.61
Rot. Bonds6

About 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one

9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one (PubChem CID 42631577) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one
PubChem CID42631577
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one
SMILESO=c1c2ccccc2n(CCCCOc2ccccc2)c2occc12
InChIInChI=1S/C21H19NO3/c23-20-17-10-4-5-11-19(17)22(21-18(20)12-15-25-21)13-6-7-14-24-16-8-2-1-3-9-16/h1-5,8-12,15H,6-7,13-14H2
InChIKeyWYESUWPLPOVMCI-UHFFFAOYSA-N
XLogP4.61
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one?
The IUPAC name of 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one (CID 42631577) is 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one.
What is the SMILES notation for 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one?
The canonical SMILES for 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one is O=c1c2ccccc2n(CCCCOc2ccccc2)c2occc12.
What is the InChIKey of 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one?
The InChIKey is WYESUWPLPOVMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-20-17-10-4-5-11-19(17)22(21-18(20)12-15-25-21)13-6-7-14-24-16-8-2-1-3-9-16/h1-5,8-12,15H,6-7,13-14H2.
What are the key properties of 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one?
9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenoxybutyl)furo[2,3-b]quinolin-4-one is sourced from PubChem (CID 42631577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).