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 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

C183H237N15O8 — CID 157171385

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 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(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C21H25NO2.C20H24N2O2.2C20H23NO2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-15(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)16-10-17-13-20(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/h3-7,12-13,15,17H,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;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
InChIKeyANMUVTLALQCMAX-UHFFFAOYSA-N
MW2775.01 g/mol
LogP40.34
Rot. Bonds25

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 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

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 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 157171385) has the molecular formula C183H237N15O8 and a molecular weight of 2775.01 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 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 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 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 CID157171385
Molecular FormulaC183H237N15O8
Molecular Weight2775.01 g/mol
Exact Mass2772.86
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 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(Cc1ccccc1)CC2.CC(C)c1cnc2c(c1)CNCC2
InChIInChI=1S/C21H25NO2.C20H24N2O2.2C20H23NO2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-15(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)16-10-17-13-20(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/h3-7,12-13,15,17H,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;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
InChIKeyANMUVTLALQCMAX-UHFFFAOYSA-N
XLogP40.34
TPSA268.78 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002775.01
LogP ≤ 540.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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 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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Launch Full Analysis

Related Compounds

[(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 164673955
[3-[6-[3-[6-[4-[[3,5-Bis[(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]carbamoyl]phenyl]-3-pyridinyl]phenyl]pyridine-3-carbonyl]oxy-5-(6-phenylpyridine-3-carbonyl)oxycyclohexyl] 6-phenylpyridine-3-carboxylate
CID 134178894
(2R,5S,11S,14S,18E)-22-[2-[(2R,5S,11S,14S,18E)-2,11-dimethyl-24-[[(2R,5S,11S,14S,18Z)-2-methyl-4,10,13,16-tetraoxo-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaen-11-yl]methyl]-4,10,13,16-tetraoxo-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaen-14-yl]propyl]-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,24,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
CID 138507317
benzyl N-[1-[(3R)-3-[[methyl-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-yl]carbamate
CID 146398442
benzyl N-[1-[(3R)-3-[[methyl-[[5-methyl-3-[[(3R)-3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-5-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-yl]carbamate
CID 146398776
benzyl N-[1-[(3S)-7-[(8S)-8-[methyl-[[(3R)-2-methyl-5-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-5,6,7,8-tetrahydroquinolin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-yl]carbamate
CID 146398827
(2R,5S,11S,14S,19E)-2,11-dimethyl-14-propan-2-yl-3,9,12,15,22,30-hexazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13-trione;(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13-trione;(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13-trione;(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene-4,10,13-trione
CID 157062567
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
[3-[[7-[[3-Borono-5-[3-[(4-ethenylphenyl)methoxy]propoxymethyl]phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]phenyl]boronic acid;[2-[[3-[1-[(2-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[(2-methylprop-2-enoylamino)methyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[3-[1-[(3-boronophenyl)methyl]-5-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;[3-[[7-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4,7-phenanthroline-4,7-diium-4-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;[3-[[4-[1-[[3-borono-5-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-(pyridin-1-ium-1-ylmethyl)phenyl]boronic acid;tetrakis(prop-1-ene)
CID 157167482
CID 157246371
CID 157246371
CID 157309069
CID 157309069
CID 157454161
CID 157454161

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 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 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 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 157171385) 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 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 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 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 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 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(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 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 ANMUVTLALQCMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.C20H24N2O2.2C20H23NO2.C18H22N2.C13H18.C12H18N2.4C12H17N.C11H16N2/c1-15(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)16-10-17-13-20(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/h3-7,12-13,15,17H,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;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 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 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?
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 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 2775.01 g/mol, XLogP of 40.34, 25 rotatable bonds, 6 hydrogen bond donors, and 20 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 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 157171385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).