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

C220H265Cl2F4N31O11S2 — CID 159579597

IUPAC7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine
SMILESC=C1CCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)CC3)C2
InChIInChI=1S/C23H26F3N3O.C23H26N4O.C23H29N3O2.C23H29N3O.2C22H26ClN3O.C22H26FN3O.C22H27N3O.2C20H25N3OS/c1-16-7-8-17-9-10-21(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;1-17-5-6-18-8-10-22(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/h4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);7-10,15H,1,3-6,11-14,16H2,(H,25,26);7-10,15H,1,3-6,11-14,16H2,2H3,(H,24,25);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);4-6,9-10H,1-3,7-8,11-15H2,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);2-3,6-7,10-11H,1,4-5,8-9,12-16H2,(H,23,24);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22)
InChIKeyMIVOKKOWASFKQK-UHFFFAOYSA-N
MW3730.78 g/mol
LogP45.16
Rot. Bonds61

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

7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine (PubChem CID 159579597) has the molecular formula C220H265Cl2F4N31O11S2 and a molecular weight of 3730.78 g/mol. Its IUPAC name is 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine
PubChem CID159579597
Molecular FormulaC220H265Cl2F4N31O11S2
Molecular Weight3730.78 g/mol
Exact Mass3726.99
IUPAC Name7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine
SMILESC=C1CCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)CC3)C2
InChIInChI=1S/C23H26F3N3O.C23H26N4O.C23H29N3O2.C23H29N3O.2C22H26ClN3O.C22H26FN3O.C22H27N3O.2C20H25N3OS/c1-16-7-8-17-9-10-21(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;1-17-5-6-18-8-10-22(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/h4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);7-10,15H,1,3-6,11-14,16H2,(H,25,26);7-10,15H,1,3-6,11-14,16H2,2H3,(H,24,25);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);4-6,9-10H,1-3,7-8,11-15H2,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);2-3,6-7,10-11H,1,4-5,8-9,12-16H2,(H,23,24);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22)
InChIKeyMIVOKKOWASFKQK-UHFFFAOYSA-N
XLogP45.16
TPSA387.49 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds61
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003730.78
LogP ≤ 545.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

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-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine 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-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine (CID 159579597) is 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine is C=C1CCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(cccc4C(F)(F)F)C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(C)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cc(OC)ccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3c(n1)NC(=C)CC3)C2.
What is the InChIKey of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine?
The InChIKey is MIVOKKOWASFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O.C23H26N4O.C23H29N3O2.C23H29N3O.2C22H26ClN3O.C22H26FN3O.C22H27N3O.2C20H25N3OS/c1-16-7-8-17-9-10-21(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;1-17-5-6-18-8-10-22(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/h4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);7-10,15H,1,3-6,11-14,16H2,(H,25,26);7-10,15H,1,3-6,11-14,16H2,2H3,(H,24,25);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);4-6,9-10H,1-3,7-8,11-15H2,(H,24,25);6-9,14H,1-5,10-13,15H2,(H,24,25);2-3,6-7,10-11H,1,4-5,8-9,12-16H2,(H,23,24);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22).
What are the key properties of 7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine?
7-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine has a molecular weight of 3730.78 g/mol, XLogP of 45.16, 61 rotatable bonds, 10 hydrogen bond donors, and 43 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-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;7-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;5-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 159579597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).