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-tert-butyl-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

C233H296N20O13 — CID 157138575

IUPACbenzyl 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-tert-butyl-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)(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(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C30H35N3O3.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H19N.C13H18.C12H18N2.3C12H17N.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)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;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;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;1-8(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);3-7,12-13,15,17H,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;4-7H,8-10H2,1-3H3;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;5,7-8,12H,3-4,6H2,1-2H3
InChIKeyAJXNCZLTEDTAAJ-UHFFFAOYSA-N
MW3585.06 g/mol
LogP49.65
Rot. Bonds37

About 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-tert-butyl-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

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-tert-butyl-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 157138575) has the molecular formula C233H296N20O13 and a molecular weight of 3585.06 g/mol. Its IUPAC name is 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-tert-butyl-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 Namebenzyl 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-tert-butyl-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 CID157138575
Molecular FormulaC233H296N20O13
Molecular Weight3585.06 g/mol
Exact Mass3582.31
IUPAC Namebenzyl 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-tert-butyl-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)(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(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C30H35N3O3.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H19N.C13H18.C12H18N2.3C12H17N.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)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;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;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;1-8(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);3-7,12-13,15,17H,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;4-7H,8-10H2,1-3H3;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;5,7-8,12H,3-4,6H2,1-2H3
InChIKeyAJXNCZLTEDTAAJ-UHFFFAOYSA-N
XLogP49.65
TPSA382.74 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003585.06
LogP ≤ 549.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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-tert-butyl-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

CID 157221941
CID 157221941
CID 158217545
CID 158217545
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
N-[3-(6-acetamido-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158840993
[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-methyl-4-oxo-2-propan-2-yldodecanoyl]amino]-2-oxohexyl]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-methyl-4-oxo-2-propan-2-yldodecanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]butanoate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(8-methylnonanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159590614
Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
methane;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(7-fluoro-4-methylquinolin-2-yl)quinolin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)quinolin-5-yl]propanoate;methyl (2S)-2-[[4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2,6-difluorobenzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoate
CID 160319194
N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;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;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-N-methyl-3-propan-2-yl-3H-2,1-benzoxaborol-6-amine;1-hydroxy-3-propan-2-yl-3H-2,1-benzoxaborole;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 160610759
N-[4-[(5S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-yl]anthracene-9-carboxamide
CID 135084552
methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate
CID 66586886
methyl 1-[[3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methyl]indole-4-carboxylate
CID 66588166
2-Methoxyethyl 3-[[3-[[4-(isoquinolin-5-ylamino)piperidin-1-yl]methyl]phenyl]carbamoyl]benzoate
CID 74222658

Frequently Asked Questions

What is the IUPAC name of 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-tert-butyl-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 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-tert-butyl-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 157138575) is 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-tert-butyl-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 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-tert-butyl-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 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-tert-butyl-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)(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(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2.
What is the InChIKey of 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-tert-butyl-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 AJXNCZLTEDTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3.C21H25NO2.C20H24N2O2.2C20H23NO2.C19H22N2O2.C18H22N2.C13H19N.C13H18.C12H18N2.3C12H17N.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)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;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;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;1-8(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);3-7,12-13,15,17H,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;4-7H,8-10H2,1-3H3;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;5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 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-tert-butyl-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?
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-tert-butyl-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 3585.06 g/mol, XLogP of 49.65, 37 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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-tert-butyl-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 157138575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).