N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C253H322N24O14 — CID 158622710

IUPACN-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C30H35N3O3.C21H28N4O.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,10H,7-9H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3
InChIKeyHYEWWZGXBYNTDR-UHFFFAOYSA-N
MW3923.51 g/mol
LogP51.71
Rot. Bonds44

About N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 158622710) has the molecular formula C253H322N24O14 and a molecular weight of 3923.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID158622710
Molecular FormulaC253H322N24O14
Molecular Weight3923.51 g/mol
Exact Mass3920.52
IUPAC NameN-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C30H35N3O3.C21H28N4O.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,10H,7-9H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3
InChIKeyHYEWWZGXBYNTDR-UHFFFAOYSA-N
XLogP51.71
TPSA453.99 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003923.51
LogP ≤ 551.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 158241318
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
9H-fluoren-9-ylmethyl 4-[[4-[(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate
CID 157117278
2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 158417364
9H-fluoren-9-ylmethyl 4-[[4-[(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;9H-fluoren-9-ylmethyl 4-[[4-[(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate
CID 157117276
benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone
CID 165090298
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 170791399
benzyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133061367
benzyl 3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 137379852
benzyl 7-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70947563
9H-fluoren-9-ylmethyl 4-[[4-[[3-[[4-(dipropylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]butanoate;9H-fluoren-9-ylmethyl 4-[[4-[(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate
CID 162194556

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 158622710) is N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2.CC(C)c1cnc2c(c1)CCC(CC(=O)OCc1ccccc1)C2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2.
What is the InChIKey of N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HYEWWZGXBYNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3.C21H28N4O.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-15(2)19-12-18-9-8-17(10-20(18)22-13-19)11-21(23)24-14-16-6-4-3-5-7-16;1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;1-14(2)16-10-17-13-20(9-8-18(17)19-11-16)12-15-6-4-3-5-7-15;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,12-13,15,17H,8-11,14H2,1-2H3;3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;3-7,10-11,14H,8-9,12-13H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,10H,7-9H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3923.51 g/mol, XLogP of 51.71, 44 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158622710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).