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

C26H21ClN4O3 — CID 118948409

IUPAC5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5Cl)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H21ClN4O3/c27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyKPSFBIACWSYKON-UHFFFAOYSA-N
MW472.93 g/mol
LogP5.52
Rot. Bonds4

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

5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948409) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948409
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5Cl)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H21ClN4O3/c27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyKPSFBIACWSYKON-UHFFFAOYSA-N
XLogP5.52
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948409) is 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5Cl)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is KPSFBIACWSYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 472.93 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118948409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).