7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine

C140H150F6N22O6 — CID 161262827

About 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine

7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine (PubChem CID 161262827) has the molecular formula C140H150F6N22O6 and a molecular weight of 2350.88 g/mol. Its IUPAC name is 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine.

Molecular Properties

• Compound Name: 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine
• PubChem CID: 161262827
• Molecular Formula: C140H150F6N22O6
• Molecular Weight: 2350.88 g/mol
• Exact Mass: 2349.20
• IUPAC Name: 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine
• SMILES: C=C1C=Cc2ccc(OCCCCN3CCc4c(C#N)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccc(C)cc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cccc(C#N)c4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1
• InChI: InChI=1S/C25H27N5O.2C23H24F3N3O.2C23H24N4O.C23H27N3O/c1-19-9-10-20-11-12-24(27-25(20)26-19)31-16-6-5-14-29-15-13-23-21(17-29)18-30(28-23)22-7-3-2-4-8-22;1-16-7-8-17-9-10-21(28-22(17)27-16)30-14-3-2-12-29-13-11-19-18(15-29)5-4-6-20(19)23(24,25)26;1-16-7-8-18-9-10-21(28-22(18)27-16)30-14-3-2-12-29-13-11-17-5-4-6-20(19(17)15-29)23(24,25)26;1-17-7-8-18-9-10-22(26-23(18)25-17)28-14-3-2-12-27-13-11-21-19(15-24)5-4-6-20(21)16-27;1-17-7-8-19-9-10-22(26-23(19)25-17)28-14-3-2-12-27-13-11-18-5-4-6-20(15-24)21(18)16-27;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22/h2-4,7-12,18H,1,5-6,13-17H2,(H,26,27);2*4-10H,1-3,11-15H2,(H,27,28);2*4-10H,1-3,11-14,16H2,(H,25,26);5-10,15H,2-4,11-14,16H2,1H3,(H,24,25)
• InChIKey: VCUAKZOGKUMUMW-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 289.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.88
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine?

The IUPAC name of 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine (CID 161262827) is 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine.

What is the SMILES notation for 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine?

The canonical SMILES for 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine is C=C1C=Cc2ccc(OCCCCN3CCc4c(C#N)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccc(C)cc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cccc(C#N)c4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.

What is the InChIKey of 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine?

The InChIKey is VCUAKZOGKUMUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.2C23H24F3N3O.2C23H24N4O.C23H27N3O/c1-19-9-10-20-11-12-24(27-25(20)26-19)31-16-6-5-14-29-15-13-23-21(17-29)18-30(28-23)22-7-3-2-4-8-22;1-16-7-8-17-9-10-21(28-22(17)27-16)30-14-3-2-12-29-13-11-19-18(15-29)5-4-6-20(19)23(24,25)26;1-16-7-8-18-9-10-21(28-22(18)27-16)30-14-3-2-12-29-13-11-17-5-4-6-20(19(17)15-29)23(24,25)26;1-17-7-8-18-9-10-22(26-23(18)25-17)28-14-3-2-12-27-13-11-21-19(15-24)5-4-6-20(21)16-27;1-17-7-8-19-9-10-22(26-23(19)25-17)28-14-3-2-12-27-13-11-18-5-4-6-20(15-24)21(18)16-27;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22/h2-4,7-12,18H,1,5-6,13-17H2,(H,26,27);2*4-10H,1-3,11-15H2,(H,27,28);2*4-10H,1-3,11-14,16H2,(H,25,26);5-10,15H,2-4,11-14,16H2,1H3,(H,24,25).

What are the key properties of 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine?

7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine has a molecular weight of 2350.88 g/mol, XLogP of 27.78, 37 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-5-carbonitrile;2-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-1H-1,8-naphthyridine is sourced from PubChem (CID 161262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).