7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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

C291H319ClF10N42O13S2 — CID 162248953

IUPAC7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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
SMILESC=C1C=Cc2ccc(OCCCCN3CCc4c(C#N)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)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(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(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)C=C3)C2
InChIInChI=1S/3C23H24F3N3O.3C23H24N4O.3C23H27N3O.C22H24ClN3O.C22H24FN3O.2C20H23N3OS/c2*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;1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-7-8-18-9-10-22(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;2*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;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;2*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;1-15-4-5-17-6-7-19(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/h3*4-10H,1-3,11-15H2,(H,27,28);5-10,15H,1,3-4,11-14,16H2,(H,25,26);2*4-10H,1-3,11-14,16H2,(H,25,26);3*5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);2*4-9,14H,1-3,10-13,15H2,(H,24,25);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22)
InChIKeyZXSLQTHTZRPQPZ-UHFFFAOYSA-N
MW4902.60 g/mol
LogP60.46
Rot. Bonds78

About 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 162248953) has the molecular formula C291H319ClF10N42O13S2 and a molecular weight of 4902.60 g/mol. Its IUPAC name is 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 Name7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 CID162248953
Molecular FormulaC291H319ClF10N42O13S2
Molecular Weight4902.60 g/mol
Exact Mass4898.46
IUPAC Name7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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
SMILESC=C1C=Cc2ccc(OCCCCN3CCc4c(C#N)cccc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)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(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(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)C=C3)C2
InChIInChI=1S/3C23H24F3N3O.3C23H24N4O.3C23H27N3O.C22H24ClN3O.C22H24FN3O.2C20H23N3OS/c2*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;1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-7-8-18-9-10-22(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;2*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;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;2*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;1-15-4-5-17-6-7-19(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/h3*4-10H,1-3,11-15H2,(H,27,28);5-10,15H,1,3-4,11-14,16H2,(H,25,26);2*4-10H,1-3,11-14,16H2,(H,25,26);3*5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);2*4-9,14H,1-3,10-13,15H2,(H,24,25);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22)
InChIKeyZXSLQTHTZRPQPZ-UHFFFAOYSA-N
XLogP60.46
TPSA538.01 Ų
H-Bond Donors13
H-Bond Acceptors56
Rotatable Bonds78
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004902.60
LogP ≤ 560.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1056

Analyze 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 162248953) is 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1C=Cc2ccc(OCCCCN3CCc4cc(C)ccc4C3)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(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(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 ZXSLQTHTZRPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H24F3N3O.3C23H24N4O.3C23H27N3O.C22H24ClN3O.C22H24FN3O.2C20H23N3OS/c2*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;1-17-5-6-18-8-10-22(26-23(18)25-17)28-14-4-3-12-27-13-11-19-15-21(24-2)9-7-20(19)16-27;1-17-7-8-18-9-10-22(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;2*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;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;2*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;1-15-4-5-17-6-7-19(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/h3*4-10H,1-3,11-15H2,(H,27,28);5-10,15H,1,3-4,11-14,16H2,(H,25,26);2*4-10H,1-3,11-14,16H2,(H,25,26);3*5-10,15H,2-4,11-14,16H2,1H3,(H,24,25);2*4-9,14H,1-3,10-13,15H2,(H,24,25);2*4-7,9,13H,1-3,8,10-12,14H2,(H,21,22).
What are the key properties of 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 4902.60 g/mol, XLogP of 60.46, 78 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-chloro-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;bis(7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-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;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;bis(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 162248953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).