1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C131H87F2N17O7 — CID 158149720

IUPAC1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C)nc5)cc4c32)c1.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)c1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(OC)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3c2)cn1
InChIInChI=1S/C28H18FN3O2.C28H19N3O.C25H15FN4O2.C25H16N4O.C25H19N3O/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20;1-18-5-4-7-23(13-18)31-27(32)12-10-21-16-30-26-11-9-19(15-24(26)28(21)31)22-14-20-6-2-3-8-25(20)29-17-22;1-27-23-9-4-16(13-29-23)15-3-8-21-19(11-15)25-17(14-28-21)5-10-24(31)30(25)18-6-7-20(26)22(12-18)32-2;1-16-4-3-5-20(12-16)29-24(30)11-8-19-15-27-22-9-6-17(13-21(22)25(19)29)18-7-10-23(26-2)28-14-18;1-16-4-3-5-21(12-16)28-24(29)11-9-20-15-27-23-10-8-18(13-22(23)25(20)28)19-7-6-17(2)26-14-19/h2-16H,1H3;2-17H,1H3;3-14H,2H3;3-15H,1H3;3-15H,1-2H3
InChIKeyFUYKJCVWBPRUHL-UHFFFAOYSA-N
MW2049.24 g/mol
LogP27.94
Rot. Bonds12

About 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 158149720) has the molecular formula C131H87F2N17O7 and a molecular weight of 2049.24 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
PubChem CID158149720
Molecular FormulaC131H87F2N17O7
Molecular Weight2049.24 g/mol
Exact Mass2047.69
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C)nc5)cc4c32)c1.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)c1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(OC)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3c2)cn1
InChIInChI=1S/C28H18FN3O2.C28H19N3O.C25H15FN4O2.C25H16N4O.C25H19N3O/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20;1-18-5-4-7-23(13-18)31-27(32)12-10-21-16-30-26-11-9-19(15-24(26)28(21)31)22-14-20-6-2-3-8-25(20)29-17-22;1-27-23-9-4-16(13-29-23)15-3-8-21-19(11-15)25-17(14-28-21)5-10-24(31)30(25)18-6-7-20(26)22(12-18)32-2;1-16-4-3-5-20(12-16)29-24(30)11-8-19-15-27-22-9-6-17(13-21(22)25(19)29)18-7-10-23(26-2)28-14-18;1-16-4-3-5-21(12-16)28-24(29)11-9-20-15-27-23-10-8-18(13-22(23)25(20)28)19-7-6-17(2)26-14-19/h2-16H,1H3;2-17H,1H3;3-14H,2H3;3-15H,1H3;3-15H,1-2H3
InChIKeyFUYKJCVWBPRUHL-UHFFFAOYSA-N
XLogP27.94
TPSA266.08 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.24
LogP ≤ 527.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

9-(2-Aminopyrimidin-5-yl)-1-(4-fluoro-3-methoxyphenyl)benzo[h][1,6]naphthyridin-2-one
CID 58524941
1-(4-Fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 58524953
1-(4-Fluoro-3-methoxyphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 58525169
1-(4-Fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 58525219
1-(4-Fluoro-3-methoxyphenyl)-9-(6-methoxy-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 69923484
5-[1-(4-Fluoro-3-methoxyphenyl)-2-oxobenzo[h][1,6]naphthyridin-9-yl]pyridine-2-carbonitrile
CID 70229135
1-[4-[8-Fluoro-7-(2-fluoro-6-methoxyphenyl)-6-methyl-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122607567
9-(6-Amino-5-methoxy-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 155249685
1-[1-[5-(1,1-Difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 157478843
1-(4-fluoro-3-methoxyphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 157484987
9-(2-aminopyrimidin-5-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 158061529
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 158149720) is 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C)nc5)cc4c32)c1.Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)c1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(OC)c5)c4c3c2)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3c2)cn1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is FUYKJCVWBPRUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O2.C28H19N3O.C25H15FN4O2.C25H16N4O.C25H19N3O/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20;1-18-5-4-7-23(13-18)31-27(32)12-10-21-16-30-26-11-9-19(15-24(26)28(21)31)22-14-20-6-2-3-8-25(20)29-17-22;1-27-23-9-4-16(13-29-23)15-3-8-21-19(11-15)25-17(14-28-21)5-10-24(31)30(25)18-6-7-20(26)22(12-18)32-2;1-16-4-3-5-20(12-16)29-24(30)11-8-19-15-27-22-9-6-17(13-21(22)25(19)29)18-7-10-23(26-2)28-14-18;1-16-4-3-5-21(12-16)28-24(29)11-9-20-15-27-23-10-8-18(13-22(23)25(20)28)19-7-6-17(2)26-14-19/h2-16H,1H3;2-17H,1H3;3-14H,2H3;3-15H,1H3;3-15H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2049.24 g/mol, XLogP of 27.94, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-(3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 158149720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).