3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one

C110H125Cl3N20O10 — CID 158326135

About 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one

3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one (PubChem CID 158326135) has the molecular formula C110H125Cl3N20O10 and a molecular weight of 1993.70 g/mol. Its IUPAC name is 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one
• PubChem CID: 158326135
• Molecular Formula: C110H125Cl3N20O10
• Molecular Weight: 1993.70 g/mol
• Exact Mass: 1990.90
• IUPAC Name: 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one
• SMILES: CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2OC)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(O)cccc2Cl)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2C)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1
• InChI: InChI=1S/C28H32ClN5O3.C28H33N5O2.C27H30ClN5O3.C27H30ClN5O2/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4;1-5-32(6-2)14-15-35-22-12-13-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)23-11-9-8-10-20(23)4;1-4-32(5-2)12-13-36-19-10-11-24(30-17-19)31-25-15-22-18(16-29-25)14-20(27(35)33(22)6-3)26-21(28)8-7-9-23(26)34;1-4-32(5-2)13-14-35-20-11-12-25(30-18-20)31-26-16-24-19(17-29-26)15-22(27(34)33(24)6-3)21-9-7-8-10-23(21)28/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,30,31,32);8-13,16-19H,5-7,14-15H2,1-4H3,(H,29,30,31);7-11,14-17,34H,4-6,12-13H2,1-3H3,(H,29,30,31);7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31)
• InChIKey: GPKUOAPNKDFGQQ-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 318.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.70
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one?

The IUPAC name of 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one (CID 158326135) is 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one.

What is the SMILES notation for 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one?

The canonical SMILES for 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2OC)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(O)cccc2Cl)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2C)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1.

What is the InChIKey of 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one?

The InChIKey is GPKUOAPNKDFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O3.C28H33N5O2.C27H30ClN5O3.C27H30ClN5O2/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4;1-5-32(6-2)14-15-35-22-12-13-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)23-11-9-8-10-20(23)4;1-4-32(5-2)12-13-36-19-10-11-24(30-17-19)31-25-15-22-18(16-29-25)14-20(27(35)33(22)6-3)26-21(28)8-7-9-23(26)34;1-4-32(5-2)13-14-35-20-11-12-25(30-18-20)31-26-16-24-19(17-29-26)15-22(27(34)33(24)6-3)21-9-7-8-10-23(21)28/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,30,31,32);8-13,16-19H,5-7,14-15H2,1-4H3,(H,29,30,31);7-11,14-17,34H,4-6,12-13H2,1-3H3,(H,29,30,31);7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31).

What are the key properties of 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one?

3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one has a molecular weight of 1993.70 g/mol, XLogP of 21.75, 41 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-methylphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 158326135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).