2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one

C120H101F6N15O8 — CID 160572743

IUPAC2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(Cc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H23N3O.C24H23N3O2.C23H18F3N3O2.C23H21N3O2.C22H16F3N3O/c1-20-17-25-28(24(29-20)18-21-11-5-2-6-12-21)26(32)19-27(30-22-13-7-3-8-14-22)31(25)23-15-9-4-10-16-23;1-16(2)29-24-23-20(14-17(3)25-24)27(19-12-8-5-9-13-19)22(15-21(23)28)26-18-10-6-4-7-11-18;1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17;1-3-28-23-22-19(14-16(2)24-23)26(18-12-8-5-9-13-18)21(15-20(22)27)25-17-10-6-4-7-11-17;1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-17,19,30H,18H2,1H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3;4-15,25H,3H2,1-2H3;2-13,27H,1H3
InChIKeyRATIWWYPHLQSNT-UHFFFAOYSA-N
MW1995.21 g/mol
LogP26.93
Rot. Bonds23

About 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one

2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one (PubChem CID 160572743) has the molecular formula C120H101F6N15O8 and a molecular weight of 1995.21 g/mol. Its IUPAC name is 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
PubChem CID160572743
Molecular FormulaC120H101F6N15O8
Molecular Weight1995.21 g/mol
Exact Mass1993.79
IUPAC Name2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(Cc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H23N3O.C24H23N3O2.C23H18F3N3O2.C23H21N3O2.C22H16F3N3O/c1-20-17-25-28(24(29-20)18-21-11-5-2-6-12-21)26(32)19-27(30-22-13-7-3-8-14-22)31(25)23-15-9-4-10-16-23;1-16(2)29-24-23-20(14-17(3)25-24)27(19-12-8-5-9-13-19)22(15-21(23)28)26-18-10-6-4-7-11-18;1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17;1-3-28-23-22-19(14-16(2)24-23)26(18-12-8-5-9-13-18)21(15-20(22)27)25-17-10-6-4-7-11-17;1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-17,19,30H,18H2,1H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3;4-15,25H,3H2,1-2H3;2-13,27H,1H3
InChIKeyRATIWWYPHLQSNT-UHFFFAOYSA-N
XLogP26.93
TPSA262.29 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.21
LogP ≤ 526.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10112903
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4(1h)-one
CID 10113164
5-Ethoxy-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
CID 10179554
2-Anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 10201429
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10223955
5-Ethoxy-2-(2-fluoro-4-methylanilino)-1-(2-fluoro-4-methylphenyl)-7-methyl-1,6-naphthyridin-4-one
CID 20791033
5-Ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one
CID 20791045
5-Ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one
CID 142224670
2-anilino-6-cyclopentyl-8-ethyl-1-phenyl-5H-pyrido[4,3-b]azepin-4-one;ethane;5-ethoxy-2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one;2,2,2-trifluoroacetic acid
CID 142225365
2-(Cyclohepta-1,3,6-trien-1-ylamino)-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225691
5-Ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-1,6-naphthyridin-4-one
CID 143113402
2-Anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one;methane
CID 157696579

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one (CID 160572743) is 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one is CCOc1nc(C)cc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(Cc3ccccc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OC(C)C)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The InChIKey is RATIWWYPHLQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O.C24H23N3O2.C23H18F3N3O2.C23H21N3O2.C22H16F3N3O/c1-20-17-25-28(24(29-20)18-21-11-5-2-6-12-21)26(32)19-27(30-22-13-7-3-8-14-22)31(25)23-15-9-4-10-16-23;1-16(2)29-24-23-20(14-17(3)25-24)27(19-12-8-5-9-13-19)22(15-21(23)28)26-18-10-6-4-7-11-18;1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17;1-3-28-23-22-19(14-16(2)24-23)26(18-12-8-5-9-13-18)21(15-20(22)27)25-17-10-6-4-7-11-17;1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-17,19,30H,18H2,1H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3;4-15,25H,3H2,1-2H3;2-13,27H,1H3.
What are the key properties of 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one has a molecular weight of 1995.21 g/mol, XLogP of 26.93, 23 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-benzyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-5-ethoxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 160572743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).