1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one

C141H107Cl3N18O10 — CID 159666825

About 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one

1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159666825) has the molecular formula C141H107Cl3N18O10 and a molecular weight of 2319.88 g/mol. Its IUPAC name is 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159666825
• Molecular Formula: C141H107Cl3N18O10
• Molecular Weight: 2319.88 g/mol
• Exact Mass: 2316.75
• IUPAC Name: 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one
• SMILES: CN(C)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc6c(c5)CCNC6=O)c4c3c2)cc1.CN(C)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc6c(c5)CNC6=O)c4c3c2)cc1.CN1Cc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc2C1=O.NCCCN1Cc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc2C1=O.O=C1NCc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc21
• InChI: InChI=1S/C30H26N4O2.C29H23ClN4O2.C29H24N4O2.C27H18ClN3O2.C26H16ClN3O2/c1-33(2)18-19-3-5-20(6-4-19)21-7-11-27-26(16-21)29-23(17-32-27)8-12-28(35)34(29)24-9-10-25-22(15-24)13-14-31-30(25)36;30-22-6-2-18(3-7-22)19-4-10-26-25(15-19)28-20(16-32-26)5-11-27(35)34(28)23-8-9-24-21(14-23)17-33(29(24)36)13-1-12-31;1-32(2)17-18-3-5-19(6-4-18)20-7-11-26-25(14-20)28-21(15-30-26)8-12-27(34)33(28)23-9-10-24-22(13-23)16-31-29(24)35;1-30-15-19-12-21(8-9-22(19)27(30)33)31-25(32)11-5-18-14-29-24-10-4-17(13-23(24)26(18)31)16-2-6-20(28)7-3-16;27-19-5-1-15(2-6-19)16-3-9-23-22(12-16)25-17(13-28-23)4-10-24(31)30(25)20-7-8-21-18(11-20)14-29-26(21)32/h3-12,15-17H,13-14,18H2,1-2H3,(H,31,36);2-11,14-16H,1,12-13,17,31H2;3-15H,16-17H2,1-2H3,(H,31,35);2-14H,15H2,1H3;1-13H,14H2,(H,29,32)
• InChIKey: MTMYFDIGGITJQB-UHFFFAOYSA-N
• XLogP: 24.78
• TPSA: 334.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.88
LogP ≤ 5	24.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one (CID 159666825) is 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one is CN(C)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc6c(c5)CCNC6=O)c4c3c2)cc1.CN(C)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc6c(c5)CNC6=O)c4c3c2)cc1.CN1Cc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc2C1=O.NCCCN1Cc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc2C1=O.O=C1NCc2cc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)ccc21.

What is the InChIKey of 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one?

The InChIKey is MTMYFDIGGITJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2.C29H23ClN4O2.C29H24N4O2.C27H18ClN3O2.C26H16ClN3O2/c1-33(2)18-19-3-5-20(6-4-19)21-7-11-27-26(16-21)29-23(17-32-27)8-12-28(35)34(29)24-9-10-25-22(15-24)13-14-31-30(25)36;30-22-6-2-18(3-7-22)19-4-10-26-25(15-19)28-20(16-32-26)5-11-27(35)34(28)23-8-9-24-21(14-23)17-33(29(24)36)13-1-12-31;1-32(2)17-18-3-5-19(6-4-18)20-7-11-26-25(14-20)28-21(15-30-26)8-12-27(34)33(28)23-9-10-24-22(13-23)16-31-29(24)35;1-30-15-19-12-21(8-9-22(19)27(30)33)31-25(32)11-5-18-14-29-24-10-4-17(13-23(24)26(18)31)16-2-6-20(28)7-3-16;27-19-5-1-15(2-6-19)16-3-9-23-22(12-16)25-17(13-28-23)4-10-24(31)30(25)20-7-8-21-18(11-20)14-29-26(21)32/h3-12,15-17H,13-14,18H2,1-2H3,(H,31,36);2-11,14-16H,1,12-13,17,31H2;3-15H,16-17H2,1-2H3,(H,31,35);2-14H,15H2,1H3;1-13H,14H2,(H,29,32).

What are the key properties of 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one?

1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2319.88 g/mol, XLogP of 24.78, 17 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-aminopropyl)-1-oxo-3H-isoindol-5-yl]-9-(4-chlorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(2-methyl-1-oxo-3H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(4-chlorophenyl)-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-2,3-dihydroisoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-[4-[(dimethylamino)methyl]phenyl]-1-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).