7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one

C23H21NO4 — CID 14809097

IUPAC7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one
SMILESO=c1ccoc2cc(OCCCN3CCc4c(oc5ccccc45)C3)ccc12
InChIInChI=1S/C23H21NO4/c25-20-9-13-27-22-14-16(6-7-19(20)22)26-12-3-10-24-11-8-18-17-4-1-2-5-21(17)28-23(18)15-24/h1-2,4-7,9,13-14H,3,8,10-12,15H2
InChIKeyDFXJNWLVSYIHOX-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.37
Rot. Bonds5

About 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one

7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one (PubChem CID 14809097) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one.

Molecular Properties

Compound Name7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one
PubChem CID14809097
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one
SMILESO=c1ccoc2cc(OCCCN3CCc4c(oc5ccccc45)C3)ccc12
InChIInChI=1S/C23H21NO4/c25-20-9-13-27-22-14-16(6-7-19(20)22)26-12-3-10-24-11-8-18-17-4-1-2-5-21(17)28-23(18)15-24/h1-2,4-7,9,13-14H,3,8,10-12,15H2
InChIKeyDFXJNWLVSYIHOX-UHFFFAOYSA-N
XLogP4.37
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one?
The IUPAC name of 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one (CID 14809097) is 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one.
What is the SMILES notation for 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one?
The canonical SMILES for 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one is O=c1ccoc2cc(OCCCN3CCc4c(oc5ccccc45)C3)ccc12.
What is the InChIKey of 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one?
The InChIKey is DFXJNWLVSYIHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-20-9-13-27-22-14-16(6-7-19(20)22)26-12-3-10-24-11-8-18-17-4-1-2-5-21(17)28-23(18)15-24/h1-2,4-7,9,13-14H,3,8,10-12,15H2.
What are the key properties of 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one?
7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one has a molecular weight of 375.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)propoxy]chromen-4-one is sourced from PubChem (CID 14809097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).