ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C56H57N7O8 — CID 163506718

IUPACethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)NCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H22N4O3.C26H23N3O5.2C2H6/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;30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25;2*1-2/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);1-6,8,10-11,13,18H,7,9,12,14-15H2,(H,28,32)(H,27,29,31);2*1-2H3
InChIKeyCZEDNWUYXRAPTB-UHFFFAOYSA-N
MW956.11 g/mol
LogP10.23
Rot. Bonds10

About ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163506718) has the molecular formula C56H57N7O8 and a molecular weight of 956.11 g/mol. Its IUPAC name is ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Nameethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163506718
Molecular FormulaC56H57N7O8
Molecular Weight956.11 g/mol
Exact Mass955.43
IUPAC Nameethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)NCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H22N4O3.C26H23N3O5.2C2H6/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;30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25;2*1-2/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);1-6,8,10-11,13,18H,7,9,12,14-15H2,(H,28,32)(H,27,29,31);2*1-2H3
InChIKeyCZEDNWUYXRAPTB-UHFFFAOYSA-N
XLogP10.23
TPSA195.75 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.11
LogP ≤ 510.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-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

Related Compounds

2-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carboxamide
CID 71621047
5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621203
5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621371
N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155195435
US10183939, Example 13
CID 118948896
US10183939, Example 3A
CID 118948531
US10183939, Example 11
CID 118948407
Anticancer agent 124
CID 118948409
US10183939, Example 4
CID 118948412
US10183939, Example 1
CID 118948488
US10183939, Example 16
CID 118948529
US10183939, Example 15
CID 118948612

Frequently Asked Questions

What is the IUPAC name of ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-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 ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163506718) is ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-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 ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-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 ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)NCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CZEDNWUYXRAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3.C26H23N3O5.2C2H6/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;30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25;2*1-2/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);1-6,8,10-11,13,18H,7,9,12,14-15H2,(H,28,32)(H,27,29,31);2*1-2H3.
What are the key properties of ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-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 956.11 g/mol, XLogP of 10.23, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide;5-[[3-(5-phenyl-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 163506718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).