6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one

C126H83Cl6FN22O7S — CID 157205823

About 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 157205823) has the molecular formula C126H83Cl6FN22O7S and a molecular weight of 2280.98 g/mol. Its IUPAC name is 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one
• PubChem CID: 157205823
• Molecular Formula: C126H83Cl6FN22O7S
• Molecular Weight: 2280.98 g/mol
• Exact Mass: 2276.47
• IUPAC Name: 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one
• SMILES: [C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)o2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)s2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-n2ccc(C)n2)cc1Cl
• InChI: InChI=1S/C22H13ClFN3O.C22H14ClN3O.C21H14ClN3O2.C21H14ClN3OS.2C20H14ClN5O/c1-12-9-14(10-18(23)20(12)25-2)16-11-17-19(28)7-8-26-22(17)27-21(16)13-3-5-15(24)6-4-13;1-13-10-15(11-18(23)20(13)24-2)16-12-17-19(27)8-9-25-22(17)26-21(16)14-6-4-3-5-7-14;2*1-11-8-13(9-16(22)19(11)23-3)14-10-15-17(26)6-7-24-21(15)25-20(14)18-5-4-12(2)27-18;1-11-8-12(9-15(21)18(11)22-2)13-10-14-17(27)4-6-23-20(14)24-19(13)16-5-7-26(3)25-16;1-11-8-13(9-16(21)18(11)22-3)14-10-15-17(27)4-6-23-19(15)24-20(14)26-7-5-12(2)25-26/h3-11H,1H3,(H,26,27,28);3-12H,1H3,(H,25,26,27);2*4-10H,1-2H3,(H,24,25,26);4-10H,1,3H3,(H,23,24,27);4-10H,1-2H3,(H,23,24,27)
• InChIKey: ARIQEILAVYBWFW-UHFFFAOYSA-N
• XLogP: 32.59
• TPSA: 349.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.98
LogP ≤ 5	32.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 157205823) is 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one is [C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)o2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(C)s2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccn(C)n2)cc1Cl.[C-]#[N+]c1c(C)cc(-c2cc3c(=O)cc[nH]c3nc2-n2ccc(C)n2)cc1Cl.

What is the InChIKey of 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one?

The InChIKey is ARIQEILAVYBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3O.C22H14ClN3O.C21H14ClN3O2.C21H14ClN3OS.2C20H14ClN5O/c1-12-9-14(10-18(23)20(12)25-2)16-11-17-19(28)7-8-26-22(17)27-21(16)13-3-5-15(24)6-4-13;1-13-10-15(11-18(23)20(13)24-2)16-12-17-19(27)8-9-25-22(17)26-21(16)14-6-4-3-5-7-14;2*1-11-8-13(9-16(22)19(11)23-3)14-10-15-17(26)6-7-24-21(15)25-20(14)18-5-4-12(2)27-18;1-11-8-12(9-15(21)18(11)22-2)13-10-14-17(27)4-6-23-20(14)24-19(13)16-5-7-26(3)25-16;1-11-8-13(9-16(21)18(11)22-3)14-10-15-17(27)4-6-23-19(15)24-20(14)26-7-5-12(2)25-26/h3-11H,1H3,(H,26,27,28);3-12H,1H3,(H,25,26,27);2*4-10H,1-2H3,(H,24,25,26);4-10H,1,3H3,(H,23,24,27);4-10H,1-2H3,(H,23,24,27).

What are the key properties of 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one?

6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 2280.98 g/mol, XLogP of 32.59, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-4-isocyano-5-methylphenyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chloro-4-isocyano-5-methylphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 157205823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).