2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

C82H77BrN8O17 — CID 163909963

About 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 163909963) has the molecular formula C82H77BrN8O17 and a molecular weight of 1526.46 g/mol. Its IUPAC name is 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
• PubChem CID: 163909963
• Molecular Formula: C82H77BrN8O17
• Molecular Weight: 1526.46 g/mol
• Exact Mass: 1524.46
• IUPAC Name: 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
• SMILES: C.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.COc1cccc(C(=O)COC(=O)C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)c1.Cc1cccc(C(=O)CBr)c1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1
• InChI: InChI=1S/C27H24N4O4.C27H24N2O7.C18H16N2O5.C9H9BrO.CH4/c1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;1-33-19-4-2-3-16(12-19)22(30)15-35-27(32)18-11-17-13-20(5-7-23(17)34-14-18)36-24-9-10-28-26-21(24)6-8-25(31)29-26;21-16-4-2-13-15(5-6-19-17(13)20-16)25-12-1-3-14-10(8-12)7-11(9-24-14)18(22)23;1-7-3-2-4-8(5-7)9(11)6-10;/h2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);2-5,7,9-10,12-13,18H,6,8,11,14-15H2,1H3,(H,28,29,31);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);2-5H,6H2,1H3;1H4
• InChIKey: QRFKWEFYTGZFCS-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 326.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1526.46
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The IUPAC name of 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 163909963) is 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.

What is the SMILES notation for 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The canonical SMILES for 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is C.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.COc1cccc(C(=O)COC(=O)C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)c1.Cc1cccc(C(=O)CBr)c1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.

What is the InChIKey of 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The InChIKey is QRFKWEFYTGZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4.C27H24N2O7.C18H16N2O5.C9H9BrO.CH4/c1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;1-33-19-4-2-3-16(12-19)22(30)15-35-27(32)18-11-17-13-20(5-7-23(17)34-14-18)36-24-9-10-28-26-21(24)6-8-25(31)29-26;21-16-4-2-13-15(5-6-19-17(13)20-16)25-12-1-3-14-10(8-12)7-11(9-24-14)18(22)23;1-7-3-2-4-8(5-7)9(11)6-10;/h2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);2-5,7,9-10,12-13,18H,6,8,11,14-15H2,1H3,(H,28,29,31);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);2-5H,6H2,1H3;1H4.

What are the key properties of 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 1526.46 g/mol, XLogP of 14.22, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(3-methylphenyl)ethanone;methane;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;[2-(3-methoxyphenyl)-2-oxoethyl] 6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylate;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 163909963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).