6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile

C86H56ClN15O6 — CID 163656576

IUPAC6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESCn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1=O.Cn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc1=O.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]ncc3c2)c1.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C24H14N4O.C22H13N5O.C20H14ClN3O2.C20H15N3O2/c25-14-15-3-1-4-18(11-15)23-19(13-20-22(29)8-10-27-24(20)28-23)16-6-7-21-17(12-16)5-2-9-26-21;23-11-13-2-1-3-15(8-13)21-17(10-18-20(28)6-7-24-22(18)26-21)14-4-5-19-16(9-14)12-25-27-19;1-24-11-13(9-16(21)20(24)26)14-10-15-17(25)7-8-22-19(15)23-18(14)12-5-3-2-4-6-12;1-23-12-14(7-8-18(23)25)15-11-16-17(24)9-10-21-20(16)22-19(15)13-5-3-2-4-6-13/h1-13H,(H,27,28,29);1-10,12H,(H,25,27)(H,24,26,28);2-11H,1H3,(H,22,23,25);2-12H,1H3,(H,21,22,24)
InChIKeyIQSJGTPAXLKZJI-UHFFFAOYSA-N
MW1430.95 g/mol
LogP15.25
Rot. Bonds8

About 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile

6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (PubChem CID 163656576) has the molecular formula C86H56ClN15O6 and a molecular weight of 1430.95 g/mol. Its IUPAC name is 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
PubChem CID163656576
Molecular FormulaC86H56ClN15O6
Molecular Weight1430.95 g/mol
Exact Mass1429.42
IUPAC Name6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
SMILESCn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1=O.Cn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc1=O.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]ncc3c2)c1.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C24H14N4O.C22H13N5O.C20H14ClN3O2.C20H15N3O2/c25-14-15-3-1-4-18(11-15)23-19(13-20-22(29)8-10-27-24(20)28-23)16-6-7-21-17(12-16)5-2-9-26-21;23-11-13-2-1-3-15(8-13)21-17(10-18-20(28)6-7-24-22(18)26-21)14-4-5-19-16(9-14)12-25-27-19;1-24-11-13(9-16(21)20(24)26)14-10-15-17(25)7-8-22-19(15)23-18(14)12-5-3-2-4-6-12;1-23-12-14(7-8-18(23)25)15-11-16-17(24)9-10-21-20(16)22-19(15)13-5-3-2-4-6-13/h1-13H,(H,27,28,29);1-10,12H,(H,25,27)(H,24,26,28);2-11H,1H3,(H,22,23,25);2-12H,1H3,(H,21,22,24)
InChIKeyIQSJGTPAXLKZJI-UHFFFAOYSA-N
XLogP15.25
TPSA316.15 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.95
LogP ≤ 515.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The IUPAC name of 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile (CID 163656576) is 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile.
What is the SMILES notation for 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The canonical SMILES for 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is Cn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)c1=O.Cn1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)ccc1=O.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3[nH]ncc3c2)c1.N#Cc1cccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
The InChIKey is IQSJGTPAXLKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O.C22H13N5O.C20H14ClN3O2.C20H15N3O2/c25-14-15-3-1-4-18(11-15)23-19(13-20-22(29)8-10-27-24(20)28-23)16-6-7-21-17(12-16)5-2-9-26-21;23-11-13-2-1-3-15(8-13)21-17(10-18-20(28)6-7-24-22(18)26-21)14-4-5-19-16(9-14)12-25-27-19;1-24-11-13(9-16(21)20(24)26)14-10-15-17(25)7-8-22-19(15)23-18(14)12-5-3-2-4-6-12;1-23-12-14(7-8-18(23)25)15-11-16-17(24)9-10-21-20(16)22-19(15)13-5-3-2-4-6-13/h1-13H,(H,27,28,29);1-10,12H,(H,25,27)(H,24,26,28);2-11H,1H3,(H,22,23,25);2-12H,1H3,(H,21,22,24).
What are the key properties of 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile?
6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile has a molecular weight of 1430.95 g/mol, XLogP of 15.25, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile is sourced from PubChem (CID 163656576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).