3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one

C195H223Cl3F3N35O14S2 — CID 160540853

IUPAC3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2C)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(SC)cc2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccc(SC)c2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C29H35N5O2.C28H31F2N5O2.C28H32FN5O2.2C28H33N5O2S.C27H29Cl2N5O2.C27H30ClN5O2/c1-6-33(7-2)13-14-36-23-10-12-27(31-19-23)32-28-17-26-22(18-30-28)16-25(29(35)34(26)8-3)24-11-9-20(4)15-21(24)5;1-5-34(6-2)10-11-37-20-8-9-25(32-17-20)33-26-15-24-19(16-31-26)14-21(28(36)35(24)7-3)27-22(29)12-18(4)13-23(27)30;1-5-33(6-2)12-13-36-21-9-11-26(31-18-21)32-27-16-25-20(17-30-27)15-23(28(35)34(25)7-3)22-10-8-19(4)14-24(22)29;1-5-32(6-2)14-15-35-22-10-13-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-8-11-23(36-4)12-9-20;1-5-32(6-2)13-14-35-22-11-12-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-9-8-10-23(15-20)36-4;1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29;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/h9-12,15-19H,6-8,13-14H2,1-5H3,(H,30,31,32);8-9,12-17H,5-7,10-11H2,1-4H3,(H,31,32,33);8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32);8-13,16-19H,5-7,14-15H2,1-4H3,(H,29,30,31);8-12,15-19H,5-7,13-14H2,1-4H3,(H,29,30,31);7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32);7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31)
InChIKeyQWTLQAWSGOWTKS-UHFFFAOYSA-N
MW3508.65 g/mol
LogP39.65
Rot. Bonds72

About 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one (PubChem CID 160540853) has the molecular formula C195H223Cl3F3N35O14S2 and a molecular weight of 3508.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one
PubChem CID160540853
Molecular FormulaC195H223Cl3F3N35O14S2
Molecular Weight3508.65 g/mol
Exact Mass3504.63
IUPAC Name3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2C)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(SC)cc2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccc(SC)c2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C29H35N5O2.C28H31F2N5O2.C28H32FN5O2.2C28H33N5O2S.C27H29Cl2N5O2.C27H30ClN5O2/c1-6-33(7-2)13-14-36-23-10-12-27(31-19-23)32-28-17-26-22(18-30-28)16-25(29(35)34(26)8-3)24-11-9-20(4)15-21(24)5;1-5-34(6-2)10-11-37-20-8-9-25(32-17-20)33-26-15-24-19(16-31-26)14-21(28(36)35(24)7-3)27-22(29)12-18(4)13-23(27)30;1-5-33(6-2)12-13-36-21-9-11-26(31-18-21)32-27-16-25-20(17-30-27)15-23(28(35)34(25)7-3)22-10-8-19(4)14-24(22)29;1-5-32(6-2)14-15-35-22-10-13-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-8-11-23(36-4)12-9-20;1-5-32(6-2)13-14-35-22-11-12-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-9-8-10-23(15-20)36-4;1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29;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/h9-12,15-19H,6-8,13-14H2,1-5H3,(H,30,31,32);8-9,12-17H,5-7,10-11H2,1-4H3,(H,31,32,33);8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32);8-13,16-19H,5-7,14-15H2,1-4H3,(H,29,30,31);8-12,15-19H,5-7,13-14H2,1-4H3,(H,29,30,31);7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32);7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31)
InChIKeyQWTLQAWSGOWTKS-UHFFFAOYSA-N
XLogP39.65
TPSA505.96 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds72
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003508.65
LogP ≤ 539.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one
CID 122691284
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 118400017
3-(3-chloro-2,6-difluorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400021
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
CID 22124644
bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)
CID 157182867
3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400003
3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-3-thiophen-2-yl-1,6-naphthyridin-2-one
CID 22124700
7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-imine;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;2-(2-chloro-6-methoxyphenyl)acetonitrile;3-(2-chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;methane
CID 160846852
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
CID 5328705
3-(2-chloro-6-methoxyphenyl)-7-[[(1Z,3E)-4-[2-(diethylamino)ethoxy]-1-(methylideneamino)penta-1,3-dienyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 129047472

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one (CID 160540853) is 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2C)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C)cc2F)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(SC)cc2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2cccc(SC)c2)c(=O)n3CC)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2Cl)c(=O)n3CC)nc1.
What is the InChIKey of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one?
The InChIKey is QWTLQAWSGOWTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2.C28H31F2N5O2.C28H32FN5O2.2C28H33N5O2S.C27H29Cl2N5O2.C27H30ClN5O2/c1-6-33(7-2)13-14-36-23-10-12-27(31-19-23)32-28-17-26-22(18-30-28)16-25(29(35)34(26)8-3)24-11-9-20(4)15-21(24)5;1-5-34(6-2)10-11-37-20-8-9-25(32-17-20)33-26-15-24-19(16-31-26)14-21(28(36)35(24)7-3)27-22(29)12-18(4)13-23(27)30;1-5-33(6-2)12-13-36-21-9-11-26(31-18-21)32-27-16-25-20(17-30-27)15-23(28(35)34(25)7-3)22-10-8-19(4)14-24(22)29;1-5-32(6-2)14-15-35-22-10-13-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-8-11-23(36-4)12-9-20;1-5-32(6-2)13-14-35-22-11-12-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-9-8-10-23(15-20)36-4;1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29;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/h9-12,15-19H,6-8,13-14H2,1-5H3,(H,30,31,32);8-9,12-17H,5-7,10-11H2,1-4H3,(H,31,32,33);8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32);8-13,16-19H,5-7,14-15H2,1-4H3,(H,29,30,31);8-12,15-19H,5-7,13-14H2,1-4H3,(H,29,30,31);7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32);7-12,15-18H,4-6,13-14H2,1-3H3,(H,29,30,31).
What are the key properties of 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one has a molecular weight of 3508.65 g/mol, XLogP of 39.65, 72 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluoro-4-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,4-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-methylsulfanylphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 160540853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).