1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one

C25H21NO2 — CID 2543752

IUPAC1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C25H21NO2/c27-24-16-21(25-22-9-5-4-8-20(22)10-11-23(25)28-24)17-26-14-12-19(13-15-26)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyYNWHSVCAXPJBFT-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.24
Rot. Bonds3

About 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one

1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one (PubChem CID 2543752) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one
PubChem CID2543752
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one
SMILESO=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1
InChIInChI=1S/C25H21NO2/c27-24-16-21(25-22-9-5-4-8-20(22)10-11-23(25)28-24)17-26-14-12-19(13-15-26)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2
InChIKeyYNWHSVCAXPJBFT-UHFFFAOYSA-N
XLogP5.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-Morpholin-4-yl-benzo[f]chromen-3-one
CID 11277489
4-Morpholin-4-yl-benzo[g]chromen-2-one
CID 11346540
1-[(4-Methylpiperidin-1-yl)methyl]benzo[f]chromen-3-one
CID 942589
4-[[Benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
4-[(Diisobutylamino)-methyl]-6,7,8,9-tetrahydro-benzo[g]chromen-2-one
CID 1845204
5,7-Dimethyl-4-[(4-methylpiperidyl)methyl]chromen-2-one
CID 1951440
7,8-Dimethyl-4-[(4-methylpiperidin-1-yl)methyl]chromen-2-one
CID 1962807
1-{[butyl(methyl)amino]methyl}-3H-benzo[f]chromen-3-one
CID 2008611
4-((butyl(methyl)amino)methyl)-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
CID 2010659
3-[Methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]propanenitrile
CID 2020836
4-[(4-Benzylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2114519
4-[[(3-Fluorophenyl)methyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 4794068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one?
The IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one (CID 2543752) is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one.
What is the SMILES notation for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one?
The canonical SMILES for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one is O=c1cc(CN2CC=C(c3ccccc3)CC2)c2c(ccc3ccccc32)o1.
What is the InChIKey of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one?
The InChIKey is YNWHSVCAXPJBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c27-24-16-21(25-22-9-5-4-8-20(22)10-11-23(25)28-24)17-26-14-12-19(13-15-26)18-6-2-1-3-7-18/h1-12,16H,13-15,17H2.
What are the key properties of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one?
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one has a molecular weight of 367.45 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzo[f]chromen-3-one is sourced from PubChem (CID 2543752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).