1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C117H89F5N16O6 — CID 159030611

IUPAC1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(C5=Cc6cc(O)ccc6C5)cc4c32)ccc1N1CCNCC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C(=O)CC)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C32H25F3N6O2.C32H28N4O2.C28H18FN3O.C25H18FN3O/c1-3-29(42)40-14-12-39(13-15-40)27-9-7-23(17-25(27)32(33,34)35)41-30(43)11-6-22-19-37-26-8-4-20(16-24(26)31(22)41)21-5-10-28(36-2)38-18-21;1-20-14-26(5-8-30(20)35-12-10-33-11-13-35)36-31(38)9-4-23-19-34-29-7-3-22(18-28(29)32(23)36)24-15-21-2-6-27(37)17-25(21)16-24;1-17-12-22(8-9-24(17)29)32-27(33)11-7-20-15-31-26-10-6-18(14-23(26)28(20)32)21-13-19-4-2-3-5-25(19)30-16-21;1-15-11-20(7-8-22(15)26)29-24(30)10-6-19-14-28-23-9-5-17(12-21(23)25(19)29)18-4-3-16(2)27-13-18/h4-11,16-19H,3,12-15H2,1H3;2-9,14,16-19,33,37H,10-13,15H2,1H3;2-16H,1H3;3-14H,1-2H3
InChIKeyJUVKTHPWVIJBLA-UHFFFAOYSA-N
MW1910.09 g/mol
LogP22.85
Rot. Bonds11

About 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 159030611) has the molecular formula C117H89F5N16O6 and a molecular weight of 1910.09 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
PubChem CID159030611
Molecular FormulaC117H89F5N16O6
Molecular Weight1910.09 g/mol
Exact Mass1908.71
IUPAC Name1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(C5=Cc6cc(O)ccc6C5)cc4c32)ccc1N1CCNCC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C(=O)CC)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C32H25F3N6O2.C32H28N4O2.C28H18FN3O.C25H18FN3O/c1-3-29(42)40-14-12-39(13-15-40)27-9-7-23(17-25(27)32(33,34)35)41-30(43)11-6-22-19-37-26-8-4-20(16-24(26)31(22)41)21-5-10-28(36-2)38-18-21;1-20-14-26(5-8-30(20)35-12-10-33-11-13-35)36-31(38)9-4-23-19-34-29-7-3-22(18-28(29)32(23)36)24-15-21-2-6-27(37)17-25(21)16-24;1-17-12-22(8-9-24(17)29)32-27(33)11-7-20-15-31-26-10-6-18(14-23(26)28(20)32)21-13-19-4-2-3-5-25(19)30-16-21;1-15-11-20(7-8-22(15)26)29-24(30)10-6-19-14-28-23-9-5-17(12-21(23)25(19)29)18-4-3-16(2)27-13-18/h4-11,16-19H,3,12-15H2,1H3;2-9,14,16-19,33,37H,10-13,15H2,1H3;2-16H,1H3;3-14H,1-2H3
InChIKeyJUVKTHPWVIJBLA-UHFFFAOYSA-N
XLogP22.85
TPSA241.64 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.09
LogP ≤ 522.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 157256339
1-[4-(4-Butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(3,5-dimethylphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-hydroxyphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-piperazin-1-yl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158348825
1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158641441
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159594783
9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one
CID 58524983
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-5-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 158133167
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-5-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 160279304
N-[6-(3-amino-5-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide;3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenol;6-[6-(1-methylpiperidin-3-yl)-3-pyridinyl]quinazolin-4-amine
CID 160421097
9-(2-Aminopyrimidin-5-yl)-1-(3,4-difluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-difluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-difluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-hydroxy-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one
CID 161505242
3-[(1S)-1-[[5-(3-fluoro-4-hydroxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[[5-(3-fluoro-5-hydroxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(6-oxo-1H-pyridin-3-yl)-2-phenylisoquinolin-1-one
CID 161613649
bis(4-(4-aminopyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol);N,N-diethylprop-2-enamide;pentane
CID 161666408

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 159030611) is 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(C5=Cc6cc(O)ccc6C5)cc4c32)ccc1N1CCNCC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C(=O)CC)CC6)c(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The InChIKey is JUVKTHPWVIJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N6O2.C32H28N4O2.C28H18FN3O.C25H18FN3O/c1-3-29(42)40-14-12-39(13-15-40)27-9-7-23(17-25(27)32(33,34)35)41-30(43)11-6-22-19-37-26-8-4-20(16-24(26)31(22)41)21-5-10-28(36-2)38-18-21;1-20-14-26(5-8-30(20)35-12-10-33-11-13-35)36-31(38)9-4-23-19-34-29-7-3-22(18-28(29)32(23)36)24-15-21-2-6-27(37)17-25(21)16-24;1-17-12-22(8-9-24(17)29)32-27(33)11-7-20-15-31-26-10-6-18(14-23(26)28(20)32)21-13-19-4-2-3-5-25(19)30-16-21;1-15-11-20(7-8-22(15)26)29-24(30)10-6-19-14-28-23-9-5-17(12-21(23)25(19)29)18-4-3-16(2)27-13-18/h4-11,16-19H,3,12-15H2,1H3;2-9,14,16-19,33,37H,10-13,15H2,1H3;2-16H,1H3;3-14H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 1910.09 g/mol, XLogP of 22.85, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159030611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).