7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one

C23H23NO3 — CID 14809092

IUPAC7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
SMILESO=c1ccoc2cc(OCCCN3CCC=C(c4ccccc4)C3)ccc12
InChIInChI=1S/C23H23NO3/c25-22-11-15-27-23-16-20(9-10-21(22)23)26-14-5-13-24-12-4-8-19(17-24)18-6-2-1-3-7-18/h1-3,6-11,15-16H,4-5,12-14,17H2
InChIKeyYFZYSMRUADKWEO-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.35
Rot. Bonds6

About 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one

7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one (PubChem CID 14809092) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one.

Molecular Properties

Compound Name7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
PubChem CID14809092
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
SMILESO=c1ccoc2cc(OCCCN3CCC=C(c4ccccc4)C3)ccc12
InChIInChI=1S/C23H23NO3/c25-22-11-15-27-23-16-20(9-10-21(22)23)26-14-5-13-24-12-4-8-19(17-24)18-6-2-1-3-7-18/h1-3,6-11,15-16H,4-5,12-14,17H2
InChIKeyYFZYSMRUADKWEO-UHFFFAOYSA-N
XLogP4.35
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.35
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 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one?
The IUPAC name of 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one (CID 14809092) is 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one.
What is the SMILES notation for 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one?
The canonical SMILES for 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one is O=c1ccoc2cc(OCCCN3CCC=C(c4ccccc4)C3)ccc12.
What is the InChIKey of 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one?
The InChIKey is YFZYSMRUADKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-22-11-15-27-23-16-20(9-10-21(22)23)26-14-5-13-24-12-4-8-19(17-24)18-6-2-1-3-7-18/h1-3,6-11,15-16H,4-5,12-14,17H2.
What are the key properties of 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one?
7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one has a molecular weight of 361.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one is sourced from PubChem (CID 14809092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).