5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride

C97H86ClF4N11O19 — CID 163820876

About 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride

5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride (PubChem CID 163820876) has the molecular formula C97H86ClF4N11O19 and a molecular weight of 1821.26 g/mol. Its IUPAC name is 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride.

Molecular Properties

• Compound Name: 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride
• PubChem CID: 163820876
• Molecular Formula: C97H86ClF4N11O19
• Molecular Weight: 1821.26 g/mol
• Exact Mass: 1819.57
• IUPAC Name: 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride
• SMILES: O=C(O)C1COc2ccc(O)cc2C1.O=C1CCc2c(F)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccc(F)cc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc(F)cc5)[nH]3)CO4)ccnc2N1.[Cl-].[NH3+]CC(=O)c1ccc(F)cc1
• InChI: InChI=1S/C27H23FN2O5.C26H21FN4O3.C18H16N2O5.C10H10O4.C8H7FN2O.C8H8FNO.ClH/c28-19-3-1-16(2-4-19)22(31)7-8-23(32)18-13-17-14-20(5-9-24(17)34-15-18)35-25-11-12-29-27-21(25)6-10-26(33)30-27;27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26;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;11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13;9-6-3-4-10-8-5(6)1-2-7(12)11-8;9-7-3-1-6(2-4-7)8(11)5-10;/h1-5,9,11-12,14,18H,6-8,10,13,15H2,(H,29,30,33);1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);1-2,4,7,11H,3,5H2,(H,12,13);3-4H,1-2H2,(H,10,11,12);1-4H,5,10H2;1H
• InChIKey: NESAZXDRULUJPD-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 434.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1821.26
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride?

The IUPAC name of 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride (CID 163820876) is 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride.

What is the SMILES notation for 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride?

The canonical SMILES for 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride is O=C(O)C1COc2ccc(O)cc2C1.O=C1CCc2c(F)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccc(F)cc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)O)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc(F)cc5)[nH]3)CO4)ccnc2N1.[Cl-].[NH3+]CC(=O)c1ccc(F)cc1.

What is the InChIKey of 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride?

The InChIKey is NESAZXDRULUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O5.C26H21FN4O3.C18H16N2O5.C10H10O4.C8H7FN2O.C8H8FNO.ClH/c28-19-3-1-16(2-4-19)22(31)7-8-23(32)18-13-17-14-20(5-9-24(17)34-15-18)35-25-11-12-29-27-21(25)6-10-26(33)30-27;27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26;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;11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13;9-6-3-4-10-8-5(6)1-2-7(12)11-8;9-7-3-1-6(2-4-7)8(11)5-10;/h1-5,9,11-12,14,18H,6-8,10,13,15H2,(H,29,30,33);1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32);1,3,5-6,8,11H,2,4,7,9H2,(H,22,23)(H,19,20,21);1-2,4,7,11H,3,5H2,(H,12,13);3-4H,1-2H2,(H,10,11,12);1-4H,5,10H2;1H.

What are the key properties of 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride?

5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride has a molecular weight of 1821.26 g/mol, XLogP of 11.47, 17 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione;[2-(4-fluorophenyl)-2-oxoethyl]azanium;6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylic acid;6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;chloride is sourced from PubChem (CID 163820876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).