5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H20N4O3 — CID 118948529

IUPAC5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C=C(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H20N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-14H,7,9,15H2,(H,28,29)(H,27,30,31)
InChIKeyKHJXEABVQFMOBM-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.08
Rot. Bonds4

About 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948529) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948529
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C=C(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H20N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-14H,7,9,15H2,(H,28,29)(H,27,30,31)
InChIKeyKHJXEABVQFMOBM-UHFFFAOYSA-N
XLogP5.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948529) is 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C=C(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is KHJXEABVQFMOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-14H,7,9,15H2,(H,28,29)(H,27,30,31).
What are the key properties of 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 436.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118948529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).