N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline

C200H248N32O9S3 — CID 161080485

IUPACN,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
SMILESC=C1CCc2ccc(OCCCCN3CCc4c(cnn4-c4ccccc4)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(ncnc4N(C)C)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nccnc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncncc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(C)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)cc2N1
InChIInChI=1S/2C26H30N4O.C23H31N5O.C21H28N4O.2C21H26N4O.2C21H26N2OS.C20H25N3OS/c1-20-9-10-21-11-12-24(17-25(21)28-20)31-16-6-5-14-29-15-13-26-22(19-29)18-27-30(26)23-7-3-2-4-8-23;1-20-9-10-21-11-12-24(17-26(21)27-20)31-16-6-5-14-29-15-13-25-22(18-29)19-30(28-25)23-7-3-2-4-8-23;1-17-6-7-18-8-9-19(14-21(18)26-17)29-13-5-4-11-28-12-10-20-22(15-28)24-16-25-23(20)27(2)3;1-16-5-6-17-7-8-19(13-21(17)22-16)26-12-4-3-10-25-11-9-20-18(15-25)14-24(2)23-20;1-16-4-5-17-6-7-18(14-20(17)24-16)26-13-3-2-11-25-12-8-19-21(15-25)23-10-9-22-19;1-16-4-5-17-6-7-19(12-21(17)24-16)26-11-3-2-9-25-10-8-20-18(14-25)13-22-15-23-20;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-21-18(15-23)9-13-25-21;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-18-9-13-25-21(18)15-23;1-15-4-5-16-6-7-17(12-19(16)22-15)24-11-3-2-9-23-10-8-18-20(13-23)25-14-21-18/h2-4,7-8,11-12,17-18,28H,1,5-6,9-10,13-16,19H2;2-4,7-8,11-12,17,19,27H,1,5-6,9-10,13-16,18H2;8-9,14,16,26H,1,4-7,10-13,15H2,2-3H3;7-8,13-14,22H,1,3-6,9-12,15H2,2H3;6-7,9-10,14,24H,1-5,8,11-13,15H2;6-7,12-13,15,24H,1-5,8-11,14H2;2*6-7,9,13-14,22H,1-5,8,10-12,15H2;6-7,12,14,22H,1-5,8-11,13H2
InChIKeyUFVQSIAFPDBDSO-UHFFFAOYSA-N
MW3340.60 g/mol
LogP38.10
Rot. Bonds57

About N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline

N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline (PubChem CID 161080485) has the molecular formula C200H248N32O9S3 and a molecular weight of 3340.60 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound NameN,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
PubChem CID161080485
Molecular FormulaC200H248N32O9S3
Molecular Weight3340.60 g/mol
Exact Mass3337.91
IUPAC NameN,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
SMILESC=C1CCc2ccc(OCCCCN3CCc4c(cnn4-c4ccccc4)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(ncnc4N(C)C)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nccnc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncncc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(C)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)cc2N1
InChIInChI=1S/2C26H30N4O.C23H31N5O.C21H28N4O.2C21H26N4O.2C21H26N2OS.C20H25N3OS/c1-20-9-10-21-11-12-24(17-25(21)28-20)31-16-6-5-14-29-15-13-26-22(19-29)18-27-30(26)23-7-3-2-4-8-23;1-20-9-10-21-11-12-24(17-26(21)27-20)31-16-6-5-14-29-15-13-25-22(18-29)19-30(28-25)23-7-3-2-4-8-23;1-17-6-7-18-8-9-19(14-21(18)26-17)29-13-5-4-11-28-12-10-20-22(15-28)24-16-25-23(20)27(2)3;1-16-5-6-17-7-8-19(13-21(17)22-16)26-12-4-3-10-25-11-9-20-18(15-25)14-24(2)23-20;1-16-4-5-17-6-7-18(14-20(17)24-16)26-13-3-2-11-25-12-8-19-21(15-25)23-10-9-22-19;1-16-4-5-17-6-7-19(12-21(17)24-16)26-11-3-2-9-25-10-8-20-18(14-25)13-22-15-23-20;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-21-18(15-23)9-13-25-21;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-18-9-13-25-21(18)15-23;1-15-4-5-16-6-7-17(12-19(16)22-15)24-11-3-2-9-23-10-8-18-20(13-23)25-14-21-18/h2-4,7-8,11-12,17-18,28H,1,5-6,9-10,13-16,19H2;2-4,7-8,11-12,17,19,27H,1,5-6,9-10,13-16,18H2;8-9,14,16,26H,1,4-7,10-13,15H2,2-3H3;7-8,13-14,22H,1,3-6,9-12,15H2,2H3;6-7,9-10,14,24H,1-5,8,11-13,15H2;6-7,12-13,15,24H,1-5,8-11,14H2;2*6-7,9,13-14,22H,1-5,8,10-12,15H2;6-7,12,14,22H,1-5,8-11,13H2
InChIKeyUFVQSIAFPDBDSO-UHFFFAOYSA-N
XLogP38.10
TPSA367.43 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds57
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.60
LogP ≤ 538.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline?
The IUPAC name of N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline (CID 161080485) is N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline.
What is the SMILES notation for N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline?
The canonical SMILES for N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline is C=C1CCc2ccc(OCCCCN3CCc4c(cnn4-c4ccccc4)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4c(ncnc4N(C)C)C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ccsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nccnc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncncc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4ncsc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(C)cc4C3)cc2N1.C=C1CCc2ccc(OCCCCN3CCc4sccc4C3)cc2N1.
What is the InChIKey of N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline?
The InChIKey is UFVQSIAFPDBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30N4O.C23H31N5O.C21H28N4O.2C21H26N4O.2C21H26N2OS.C20H25N3OS/c1-20-9-10-21-11-12-24(17-25(21)28-20)31-16-6-5-14-29-15-13-26-22(19-29)18-27-30(26)23-7-3-2-4-8-23;1-20-9-10-21-11-12-24(17-26(21)27-20)31-16-6-5-14-29-15-13-25-22(18-29)19-30(28-25)23-7-3-2-4-8-23;1-17-6-7-18-8-9-19(14-21(18)26-17)29-13-5-4-11-28-12-10-20-22(15-28)24-16-25-23(20)27(2)3;1-16-5-6-17-7-8-19(13-21(17)22-16)26-12-4-3-10-25-11-9-20-18(15-25)14-24(2)23-20;1-16-4-5-17-6-7-18(14-20(17)24-16)26-13-3-2-11-25-12-8-19-21(15-25)23-10-9-22-19;1-16-4-5-17-6-7-19(12-21(17)24-16)26-11-3-2-9-25-10-8-20-18(14-25)13-22-15-23-20;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-21-18(15-23)9-13-25-21;1-16-4-5-17-6-7-19(14-20(17)22-16)24-12-3-2-10-23-11-8-18-9-13-25-21(18)15-23;1-15-4-5-16-6-7-17(12-19(16)22-15)24-11-3-2-9-23-10-8-18-20(13-23)25-14-21-18/h2-4,7-8,11-12,17-18,28H,1,5-6,9-10,13-16,19H2;2-4,7-8,11-12,17,19,27H,1,5-6,9-10,13-16,18H2;8-9,14,16,26H,1,4-7,10-13,15H2,2-3H3;7-8,13-14,22H,1,3-6,9-12,15H2,2H3;6-7,9-10,14,24H,1-5,8,11-13,15H2;6-7,12-13,15,24H,1-5,8-11,14H2;2*6-7,9,13-14,22H,1-5,8,10-12,15H2;6-7,12,14,22H,1-5,8-11,13H2.
What are the key properties of N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline?
N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline has a molecular weight of 3340.60 g/mol, XLogP of 38.10, 57 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-[4-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 161080485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).