7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C277H334N54O23S3 — CID 159051278

IUPAC7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ncc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ncsc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5occc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5sccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5scnc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ccnc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cncc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4nccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ncnc5ccccc45)CC3)nc2N1
InChIInChI=1S/C27H32N4O2.3C26H31N5O2.C25H30N6O2.C25H31N5O2.C25H30N4O3.C25H30N4O2S.C24H30N6O2.2C24H29N5O2S/c32-25-13-11-22-12-14-26(29-27(22)28-25)33-20-4-3-15-30-16-6-17-31(19-18-30)24-10-5-8-21-7-1-2-9-23(21)24;32-24-10-8-20-9-11-25(29-26(20)28-24)33-19-4-3-14-30-15-5-16-31(18-17-30)23-12-13-27-22-7-2-1-6-21(22)23;32-23-10-8-21-9-11-24(29-25(21)28-23)33-19-4-3-14-30-15-5-16-31(18-17-30)26-22-7-2-1-6-20(22)12-13-27-26;32-24-10-8-20-9-11-25(29-26(20)28-24)33-17-4-3-12-30-13-5-14-31(16-15-30)23-19-27-18-21-6-1-2-7-22(21)23;32-22-10-8-19-9-11-23(29-24(19)28-22)33-17-4-3-12-30-13-5-14-31(16-15-30)25-20-6-1-2-7-21(20)26-18-27-25;31-23-9-7-19-8-10-24(28-25(19)27-23)32-18-2-1-13-29-14-4-15-30(17-16-29)22-6-3-5-21-20(22)11-12-26-21;30-23-9-7-19-8-10-24(27-25(19)26-23)32-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-31-22;30-23-9-7-19-8-10-24(27-25(19)26-23)31-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-32-22;31-22-9-7-18-8-10-23(27-24(18)26-22)32-16-2-1-11-29-12-4-13-30(15-14-29)21-6-3-5-20-19(21)17-25-28-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)19-5-3-6-20-23(19)25-17-32-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)20-6-3-5-19-23(20)32-17-25-19/h1-2,5,7-10,12,14H,3-4,6,11,13,15-20H2,(H,28,29,32);2*1-2,6-7,9,11-13H,3-5,8,10,14-19H2,(H,28,29,32);1-2,6-7,9,11,18-19H,3-5,8,10,12-17H2,(H,28,29,32);1-2,6-7,9,11,18H,3-5,8,10,12-17H2,(H,28,29,32);3,5-6,8,10-12,26H,1-2,4,7,9,13-18H2,(H,27,28,31);2*3,5-6,8,10-11,18H,1-2,4,7,9,12-17H2,(H,26,27,30);3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,25,28)(H,26,27,31);2*3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,26,27,30)
InChIKeyJXHJDZMNYNKPQD-UHFFFAOYSA-N
MW4884.28 g/mol
LogP42.99
Rot. Bonds77

About 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 159051278) has the molecular formula C277H334N54O23S3 and a molecular weight of 4884.28 g/mol. Its IUPAC name is 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID159051278
Molecular FormulaC277H334N54O23S3
Molecular Weight4884.28 g/mol
Exact Mass4880.58
IUPAC Name7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ncc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ncsc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5occc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5sccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5scnc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ccnc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cncc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4nccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ncnc5ccccc45)CC3)nc2N1
InChIInChI=1S/C27H32N4O2.3C26H31N5O2.C25H30N6O2.C25H31N5O2.C25H30N4O3.C25H30N4O2S.C24H30N6O2.2C24H29N5O2S/c32-25-13-11-22-12-14-26(29-27(22)28-25)33-20-4-3-15-30-16-6-17-31(19-18-30)24-10-5-8-21-7-1-2-9-23(21)24;32-24-10-8-20-9-11-25(29-26(20)28-24)33-19-4-3-14-30-15-5-16-31(18-17-30)23-12-13-27-22-7-2-1-6-21(22)23;32-23-10-8-21-9-11-24(29-25(21)28-23)33-19-4-3-14-30-15-5-16-31(18-17-30)26-22-7-2-1-6-20(22)12-13-27-26;32-24-10-8-20-9-11-25(29-26(20)28-24)33-17-4-3-12-30-13-5-14-31(16-15-30)23-19-27-18-21-6-1-2-7-22(21)23;32-22-10-8-19-9-11-23(29-24(19)28-22)33-17-4-3-12-30-13-5-14-31(16-15-30)25-20-6-1-2-7-21(20)26-18-27-25;31-23-9-7-19-8-10-24(28-25(19)27-23)32-18-2-1-13-29-14-4-15-30(17-16-29)22-6-3-5-21-20(22)11-12-26-21;30-23-9-7-19-8-10-24(27-25(19)26-23)32-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-31-22;30-23-9-7-19-8-10-24(27-25(19)26-23)31-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-32-22;31-22-9-7-18-8-10-23(27-24(18)26-22)32-16-2-1-11-29-12-4-13-30(15-14-29)21-6-3-5-20-19(21)17-25-28-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)19-5-3-6-20-23(19)25-17-32-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)20-6-3-5-19-23(20)32-17-25-19/h1-2,5,7-10,12,14H,3-4,6,11,13,15-20H2,(H,28,29,32);2*1-2,6-7,9,11-13H,3-5,8,10,14-19H2,(H,28,29,32);1-2,6-7,9,11,18-19H,3-5,8,10,12-17H2,(H,28,29,32);1-2,6-7,9,11,18H,3-5,8,10,12-17H2,(H,28,29,32);3,5-6,8,10-12,26H,1-2,4,7,9,13-18H2,(H,27,28,31);2*3,5-6,8,10-11,18H,1-2,4,7,9,12-17H2,(H,26,27,30);3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,25,28)(H,26,27,31);2*3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,26,27,30)
InChIKeyJXHJDZMNYNKPQD-UHFFFAOYSA-N
XLogP42.99
TPSA782.54 Ų
H-Bond Donors13
H-Bond Acceptors67
Rotatable Bonds77
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004884.28
LogP ≤ 542.99
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1067

Analyze 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 159051278) is 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5[nH]ncc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5ncsc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5occc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5sccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5scnc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ccnc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4cncc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4nccc5ccccc45)CC3)nc2N1.O=C1CCc2ccc(OCCCCN3CCCN(c4ncnc5ccccc45)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JXHJDZMNYNKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.3C26H31N5O2.C25H30N6O2.C25H31N5O2.C25H30N4O3.C25H30N4O2S.C24H30N6O2.2C24H29N5O2S/c32-25-13-11-22-12-14-26(29-27(22)28-25)33-20-4-3-15-30-16-6-17-31(19-18-30)24-10-5-8-21-7-1-2-9-23(21)24;32-24-10-8-20-9-11-25(29-26(20)28-24)33-19-4-3-14-30-15-5-16-31(18-17-30)23-12-13-27-22-7-2-1-6-21(22)23;32-23-10-8-21-9-11-24(29-25(21)28-23)33-19-4-3-14-30-15-5-16-31(18-17-30)26-22-7-2-1-6-20(22)12-13-27-26;32-24-10-8-20-9-11-25(29-26(20)28-24)33-17-4-3-12-30-13-5-14-31(16-15-30)23-19-27-18-21-6-1-2-7-22(21)23;32-22-10-8-19-9-11-23(29-24(19)28-22)33-17-4-3-12-30-13-5-14-31(16-15-30)25-20-6-1-2-7-21(20)26-18-27-25;31-23-9-7-19-8-10-24(28-25(19)27-23)32-18-2-1-13-29-14-4-15-30(17-16-29)22-6-3-5-21-20(22)11-12-26-21;30-23-9-7-19-8-10-24(27-25(19)26-23)32-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-31-22;30-23-9-7-19-8-10-24(27-25(19)26-23)31-17-2-1-12-28-13-4-14-29(16-15-28)21-5-3-6-22-20(21)11-18-32-22;31-22-9-7-18-8-10-23(27-24(18)26-22)32-16-2-1-11-29-12-4-13-30(15-14-29)21-6-3-5-20-19(21)17-25-28-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)19-5-3-6-20-23(19)25-17-32-20;30-21-9-7-18-8-10-22(27-24(18)26-21)31-16-2-1-11-28-12-4-13-29(15-14-28)20-6-3-5-19-23(20)32-17-25-19/h1-2,5,7-10,12,14H,3-4,6,11,13,15-20H2,(H,28,29,32);2*1-2,6-7,9,11-13H,3-5,8,10,14-19H2,(H,28,29,32);1-2,6-7,9,11,18-19H,3-5,8,10,12-17H2,(H,28,29,32);1-2,6-7,9,11,18H,3-5,8,10,12-17H2,(H,28,29,32);3,5-6,8,10-12,26H,1-2,4,7,9,13-18H2,(H,27,28,31);2*3,5-6,8,10-11,18H,1-2,4,7,9,12-17H2,(H,26,27,30);3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,25,28)(H,26,27,31);2*3,5-6,8,10,17H,1-2,4,7,9,11-16H2,(H,26,27,30).
What are the key properties of 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 4884.28 g/mol, XLogP of 42.99, 77 rotatable bonds, 13 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 159051278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).