7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen

C119H115F3N18O9S — CID 157364799

IUPAC7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen
SMILESCC(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(C(=O)NC2CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(C(N)=O)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N4O2.C25H22N4O2.C23H18F3N3OS.C23H19N3O2.C22H18N4O2.6H2/c1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;1-16-14-20(25(31)27-18-12-13-18)28-24-23(16)21(30)15-22(26-17-8-4-2-5-9-17)29(24)19-10-6-3-7-11-19;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16;1-15-13-19(16(2)27)25-23-22(15)20(28)14-21(24-17-9-5-3-6-10-17)26(23)18-11-7-4-8-12-18;1-14-12-17(21(23)28)25-22-20(14)18(27)13-19(24-15-8-4-2-5-9-15)26(22)16-10-6-3-7-11-16;;;;;;/h6-17,27H,4-5H2,1-3H3;2-11,14-15,18,26H,12-13H2,1H3,(H,27,31);3-14,27H,2H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3,(H2,23,28);6*1H
InChIKeyBJBCBNCACWJJLM-UHFFFAOYSA-N
MW2030.41 g/mol
LogP25.16
Rot. Bonds24

About 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen

7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen (PubChem CID 157364799) has the molecular formula C119H115F3N18O9S and a molecular weight of 2030.41 g/mol. Its IUPAC name is 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen
PubChem CID157364799
Molecular FormulaC119H115F3N18O9S
Molecular Weight2030.41 g/mol
Exact Mass2028.88
IUPAC Name7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen
SMILESCC(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(C(=O)NC2CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(C(N)=O)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H26N4O2.C25H22N4O2.C23H18F3N3OS.C23H19N3O2.C22H18N4O2.6H2/c1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;1-16-14-20(25(31)27-18-12-13-18)28-24-23(16)21(30)15-22(26-17-8-4-2-5-9-17)29(24)19-10-6-3-7-11-19;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16;1-15-13-19(16(2)27)25-23-22(15)20(28)14-21(24-17-9-5-3-6-10-17)26(23)18-11-7-4-8-12-18;1-14-12-17(21(23)28)25-22-20(14)18(27)13-19(24-15-8-4-2-5-9-15)26(22)16-10-6-3-7-11-16;;;;;;/h6-17,27H,4-5H2,1-3H3;2-11,14-15,18,26H,12-13H2,1H3,(H,27,31);3-14,27H,2H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3,(H2,23,28);6*1H
InChIKeyBJBCBNCACWJJLM-UHFFFAOYSA-N
XLogP25.16
TPSA344.17 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.41
LogP ≤ 525.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen (CID 157364799) is 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen is CC(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCN(CC)C(=O)c1cc(C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(C(=O)NC2CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(C(N)=O)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen?
The InChIKey is BJBCBNCACWJJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C25H22N4O2.C23H18F3N3OS.C23H19N3O2.C22H18N4O2.6H2/c1-4-29(5-2)26(32)21-16-18(3)24-22(31)17-23(27-19-12-8-6-9-13-19)30(25(24)28-21)20-14-10-7-11-15-20;1-16-14-20(25(31)27-18-12-13-18)28-24-23(16)21(30)15-22(26-17-8-4-2-5-9-17)29(24)19-10-6-3-7-11-19;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16;1-15-13-19(16(2)27)25-23-22(15)20(28)14-21(24-17-9-5-3-6-10-17)26(23)18-11-7-4-8-12-18;1-14-12-17(21(23)28)25-22-20(14)18(27)13-19(24-15-8-4-2-5-9-15)26(22)16-10-6-3-7-11-16;;;;;;/h6-17,27H,4-5H2,1-3H3;2-11,14-15,18,26H,12-13H2,1H3,(H,27,31);3-14,27H,2H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3,(H2,23,28);6*1H.
What are the key properties of 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen?
7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen has a molecular weight of 2030.41 g/mol, XLogP of 25.16, 24 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157364799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).