6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile

C135H93ClF3N27O7 — CID 158332867

IUPAC6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile
SMILESCOc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.Cc1ccnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1cnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(F)c3ncccc3c2)n1.N#Cc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C24H14N4O.C24H17N3O2.C22H16ClN5O.2C22H16FN5O.C21H14FN5O/c25-14-18-12-22(29)20-13-19(16-8-9-21-17(11-16)7-4-10-26-21)23(28-24(20)27-18)15-5-2-1-3-6-15;1-29-22-14-21(28)19-13-18(16-9-10-20-17(12-16)8-5-11-25-20)23(27-24(19)26-22)15-6-3-2-4-7-15;2*1-12-3-6-24-20-14(12)9-13(10-17(20)23)15-11-16-19(29)4-7-25-22(16)26-21(15)18-5-8-28(2)27-18;1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18;1-27-8-5-17(26-27)20-14(11-15-18(28)4-7-24-21(15)25-20)13-9-12-3-2-6-23-19(12)16(22)10-13/h1-13H,(H,27,28,29);2-14H,1H3,(H,26,27,28);2*3-11H,1-2H3,(H,25,26,29);3-11H,1-2H3,(H,24,26,29);2-11H,1H3,(H,24,25,28)
InChIKeyGQFJWHODIRXYQW-UHFFFAOYSA-N
MW2297.86 g/mol
LogP25.64
Rot. Bonds13

About 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile

6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile (PubChem CID 158332867) has the molecular formula C135H93ClF3N27O7 and a molecular weight of 2297.86 g/mol. Its IUPAC name is 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile
PubChem CID158332867
Molecular FormulaC135H93ClF3N27O7
Molecular Weight2297.86 g/mol
Exact Mass2295.74
IUPAC Name6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile
SMILESCOc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.Cc1ccnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1cnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(F)c3ncccc3c2)n1.N#Cc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C24H14N4O.C24H17N3O2.C22H16ClN5O.2C22H16FN5O.C21H14FN5O/c25-14-18-12-22(29)20-13-19(16-8-9-21-17(11-16)7-4-10-26-21)23(28-24(20)27-18)15-5-2-1-3-6-15;1-29-22-14-21(28)19-13-18(16-9-10-20-17(12-16)8-5-11-25-20)23(27-24(19)26-22)15-6-3-2-4-7-15;2*1-12-3-6-24-20-14(12)9-13(10-17(20)23)15-11-16-19(29)4-7-25-22(16)26-21(15)18-5-8-28(2)27-18;1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18;1-27-8-5-17(26-27)20-14(11-15-18(28)4-7-24-21(15)25-20)13-9-12-3-2-6-23-19(12)16(22)10-13/h1-13H,(H,27,28,29);2-14H,1H3,(H,26,27,28);2*3-11H,1-2H3,(H,25,26,29);3-11H,1-2H3,(H,24,26,29);2-11H,1H3,(H,24,25,28)
InChIKeyGQFJWHODIRXYQW-UHFFFAOYSA-N
XLogP25.64
TPSA456.14 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.86
LogP ≤ 525.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?
The IUPAC name of 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile (CID 158332867) is 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile.
What is the SMILES notation for 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?
The canonical SMILES for 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile is COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.Cc1ccnc2c(Cl)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc12.Cc1cnc2c(F)cc(-c3cc4c(=O)cc[nH]c4nc3-c3ccn(C)n3)cc2c1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(F)c3ncccc3c2)n1.N#Cc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?
The InChIKey is GQFJWHODIRXYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O.C24H17N3O2.C22H16ClN5O.2C22H16FN5O.C21H14FN5O/c25-14-18-12-22(29)20-13-19(16-8-9-21-17(11-16)7-4-10-26-21)23(28-24(20)27-18)15-5-2-1-3-6-15;1-29-22-14-21(28)19-13-18(16-9-10-20-17(12-16)8-5-11-25-20)23(27-24(19)26-22)15-6-3-2-4-7-15;2*1-12-3-6-24-20-14(12)9-13(10-17(20)23)15-11-16-19(29)4-7-25-22(16)26-21(15)18-5-8-28(2)27-18;1-12-7-14-8-13(9-17(23)20(14)25-11-12)15-10-16-19(29)3-5-24-22(16)26-21(15)18-4-6-28(2)27-18;1-27-8-5-17(26-27)20-14(11-15-18(28)4-7-24-21(15)25-20)13-9-12-3-2-6-23-19(12)16(22)10-13/h1-13H,(H,27,28,29);2-14H,1H3,(H,26,27,28);2*3-11H,1-2H3,(H,25,26,29);3-11H,1-2H3,(H,24,26,29);2-11H,1H3,(H,24,25,28).
What are the key properties of 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?
6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile has a molecular weight of 2297.86 g/mol, XLogP of 25.64, 13 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-3-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoro-4-methylquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(8-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;2-methoxy-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;4-oxo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile is sourced from PubChem (CID 158332867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).