9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C142H101Cl2F6N21O6 — CID 159036433

About 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 159036433) has the molecular formula C142H101Cl2F6N21O6 and a molecular weight of 2382.40 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159036433
• Molecular Formula: C142H101Cl2F6N21O6
• Molecular Weight: 2382.40 g/mol
• Exact Mass: 2379.75
• IUPAC Name: 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• SMILES: CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2Cl)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6c(c5)C=CC6)cc4c32)ccc1F.O=c1ccc2cnc3ccc(-c4cnc5c(c4)C=CC5)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1
• InChI: InChI=1S/C34H28ClN5O2.C31H24ClN5O.C27H15F4N3O.C27H18FN3O.C23H16FN5O/c1-2-32(41)39-15-13-38(14-16-39)31-11-9-26(19-28(31)35)40-33(42)12-8-24-20-37-30-10-7-22(18-27(30)34(24)40)25-17-23-5-3-4-6-29(23)36-21-25;32-26-17-24(7-9-29(26)36-13-11-33-12-14-36)37-30(38)10-6-22-18-35-28-8-5-20(16-25(28)31(22)37)23-15-21-3-1-2-4-27(21)34-19-23;28-22-7-6-19(12-21(22)27(29,30)31)34-25(35)9-5-17-13-33-24-8-4-15(11-20(24)26(17)34)18-10-16-2-1-3-23(16)32-14-18;1-16-11-21(7-8-23(16)28)31-26(32)10-6-19-14-30-25-9-5-17(13-22(25)27(19)31)20-12-18-3-2-4-24(18)29-15-20;1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16/h3-12,17-21H,2,13-16H2,1H3;1-10,15-19,33H,11-14H2;1-2,4-14H,3H2;2-3,5-15H,4H2,1H3;2-12H,1H3,(H2,25,27,28)
• InChIKey: JVMZNJUSXWVUOF-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 316.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.40
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 159036433) is 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2Cl)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6c(c5)C=CC6)cc4c32)ccc1F.O=c1ccc2cnc3ccc(-c4cnc5c(c4)C=CC5)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1.

What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The InChIKey is JVMZNJUSXWVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClN5O2.C31H24ClN5O.C27H15F4N3O.C27H18FN3O.C23H16FN5O/c1-2-32(41)39-15-13-38(14-16-39)31-11-9-26(19-28(31)35)40-33(42)12-8-24-20-37-30-10-7-22(18-27(30)34(24)40)25-17-23-5-3-4-6-29(23)36-21-25;32-26-17-24(7-9-29(26)36-13-11-33-12-14-36)37-30(38)10-6-22-18-35-28-8-5-20(16-25(28)31(22)37)23-15-21-3-1-2-4-27(21)34-19-23;28-22-7-6-19(12-21(22)27(29,30)31)34-25(35)9-5-17-13-33-24-8-4-15(11-20(24)26(17)34)18-10-16-2-1-3-23(16)32-14-18;1-16-11-21(7-8-23(16)28)31-26(32)10-6-19-14-30-25-9-5-17(13-22(25)27(19)31)20-12-18-3-2-4-24(18)29-15-20;1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16/h3-12,17-21H,2,13-16H2,1H3;1-10,15-19,33H,11-14H2;1-2,4-14H,3H2;2-3,5-15H,4H2,1H3;2-12H,1H3,(H2,25,27,28).

What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2382.40 g/mol, XLogP of 28.25, 13 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159036433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).