7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

C197H221Cl2FN28O10S2 — CID 157263257

IUPAC7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=C1C=Cc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)C=C3)C2
InChIInChI=1S/C23H24N4O.C23H27N3O2.C23H27N3O.2C22H24ClN3O.C22H24FN3O.C22H25N3O.2C20H23N3OS/c1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-5-6-18-8-10-22(25-23(18)24-17)28-14-4-3-12-26-13-11-19-15-21(27-2)9-7-20(19)16-26;1-17-5-7-21-16-26(13-11-20(21)15-17)12-3-4-14-27-22-10-9-19-8-6-18(2)24-23(19)25-22;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-16-7-8-17-9-10-21(25-22(17)24-16)27-14-3-2-12-26-13-11-19-18(15-26)5-4-6-20(19)23;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-17-8-9-19-10-11-21(24-22(19)23-17)26-15-5-4-13-25-14-12-18-6-2-3-7-20(18)16-25;1-15-4-5-17-6-7-19(22-20(17)21-15)24-12-3-2-10-23-11-8-16-9-13-25-18(16)14-23;1-15-4-5-16-6-7-19(22-20(16)21-15)24-12-3-2-10-23-11-8-18-17(14-23)9-13-25-18/h5-10,15H,1,3-4,11-14,16H2,(H,25,26);5-10,15H,1,3-4,11-14,16H2,2H3,(H,24,25);5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);4-10H,1-3,11-15H2,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);2-3,6-11H,1,4-5,12-16H2,(H,23,24);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22)
InChIKeyAXSBYMCTZRPKTD-UHFFFAOYSA-N
MW3295.16 g/mol
LogP40.70
Rot. Bonds55

About 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 157263257) has the molecular formula C197H221Cl2FN28O10S2 and a molecular weight of 3295.16 g/mol. Its IUPAC name is 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID157263257
Molecular FormulaC197H221Cl2FN28O10S2
Molecular Weight3295.16 g/mol
Exact Mass3291.64
IUPAC Name7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=C1C=Cc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)C=C3)C2
InChIInChI=1S/C23H24N4O.C23H27N3O2.C23H27N3O.2C22H24ClN3O.C22H24FN3O.C22H25N3O.2C20H23N3OS/c1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-5-6-18-8-10-22(25-23(18)24-17)28-14-4-3-12-26-13-11-19-15-21(27-2)9-7-20(19)16-26;1-17-5-7-21-16-26(13-11-20(21)15-17)12-3-4-14-27-22-10-9-19-8-6-18(2)24-23(19)25-22;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-16-7-8-17-9-10-21(25-22(17)24-16)27-14-3-2-12-26-13-11-19-18(15-26)5-4-6-20(19)23;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-17-8-9-19-10-11-21(24-22(19)23-17)26-15-5-4-13-25-14-12-18-6-2-3-7-20(18)16-25;1-15-4-5-17-6-7-19(22-20(17)21-15)24-12-3-2-10-23-11-8-16-9-13-25-18(16)14-23;1-15-4-5-16-6-7-19(22-20(16)21-15)24-12-3-2-10-23-11-8-18-17(14-23)9-13-25-18/h5-10,15H,1,3-4,11-14,16H2,(H,25,26);5-10,15H,1,3-4,11-14,16H2,2H3,(H,24,25);5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);4-10H,1-3,11-15H2,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);2-3,6-11H,1,4-5,12-16H2,(H,23,24);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22)
InChIKeyAXSBYMCTZRPKTD-UHFFFAOYSA-N
XLogP40.70
TPSA350.10 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds55
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003295.16
LogP ≤ 540.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 157263257) is 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is C=C1C=Cc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)C=C3)C2.
What is the InChIKey of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is AXSBYMCTZRPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C23H27N3O2.C23H27N3O.2C22H24ClN3O.C22H24FN3O.C22H25N3O.2C20H23N3OS/c1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-5-6-18-8-10-22(25-23(18)24-17)28-14-4-3-12-26-13-11-19-15-21(27-2)9-7-20(19)16-26;1-17-5-7-21-16-26(13-11-20(21)15-17)12-3-4-14-27-22-10-9-19-8-6-18(2)24-23(19)25-22;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-16-7-8-17-9-10-21(25-22(17)24-16)27-14-3-2-12-26-13-11-19-18(15-26)5-4-6-20(19)23;1-16-4-5-17-7-9-21(25-22(17)24-16)27-13-3-2-11-26-12-10-18-14-20(23)8-6-19(18)15-26;1-17-8-9-19-10-11-21(24-22(19)23-17)26-15-5-4-13-25-14-12-18-6-2-3-7-20(18)16-25;1-15-4-5-17-6-7-19(22-20(17)21-15)24-12-3-2-10-23-11-8-16-9-13-25-18(16)14-23;1-15-4-5-16-6-7-19(22-20(16)21-15)24-12-3-2-10-23-11-8-18-17(14-23)9-13-25-18/h5-10,15H,1,3-4,11-14,16H2,(H,25,26);5-10,15H,1,3-4,11-14,16H2,2H3,(H,24,25);5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);4-10H,1-3,11-15H2,(H,24,25);4-9,14H,1-3,10-13,15H2,(H,24,25);2-3,6-11H,1,4-5,12-16H2,(H,23,24);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22).
What are the key properties of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 3295.16 g/mol, XLogP of 40.70, 55 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-1H-1,8-naphthyridine;5-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-8H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 157263257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).