(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C125H166N24S — CID 158330442

IUPAC(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN1CCN(CCCN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)CC1.c1cnc(CN(CCCN2CCCCC2)[C@H]2CCCc3cccnc32)nc1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2ccccc2cn1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2[nH]1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2s1
InChIInChI=1S/C27H34N4.C26H36N6.C25H33N5.C25H32N4S.C22H31N5/c1-4-15-30(16-5-1)17-8-18-31(26-13-6-11-22-12-7-14-28-27(22)26)21-25-19-23-9-2-3-10-24(23)20-29-25;1-2-30-16-18-31(19-17-30)14-7-15-32(20-25-28-22-10-3-4-11-23(22)29-25)24-12-5-8-21-9-6-13-27-26(21)24;1-4-15-29(16-5-1)17-8-18-30(19-24-27-21-11-2-3-12-22(21)28-24)23-13-6-9-20-10-7-14-26-25(20)23;1-4-15-28(16-5-1)17-8-18-29(19-24-27-21-11-2-3-13-23(21)30-24)22-12-6-9-20-10-7-14-26-25(20)22;1-2-14-26(15-3-1)16-7-17-27(18-21-23-12-6-13-24-21)20-10-4-8-19-9-5-11-25-22(19)20/h2-3,7,9-10,12,14,19-20,26H,1,4-6,8,11,13,15-18,21H2;3-4,6,9-11,13,24H,2,5,7-8,12,14-20H2,1H3,(H,28,29);2-3,7,10-12,14,23H,1,4-6,8-9,13,15-19H2,(H,27,28);2-3,7,10-11,13-14,22H,1,4-6,8-9,12,15-19H2;5-6,9,11-13,20H,1-4,7-8,10,14-18H2/t26-;24-;23-;22-;20-/m00000/s1
InChIKeyGPYAOKWTJWQQFT-HRZVDTSNSA-N
MW2036.94 g/mol
LogP23.04
Rot. Bonds36

About (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 158330442) has the molecular formula C125H166N24S and a molecular weight of 2036.94 g/mol. Its IUPAC name is (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID158330442
Molecular FormulaC125H166N24S
Molecular Weight2036.94 g/mol
Exact Mass2035.34
IUPAC Name(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN1CCN(CCCN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)CC1.c1cnc(CN(CCCN2CCCCC2)[C@H]2CCCc3cccnc32)nc1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2ccccc2cn1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2[nH]1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2s1
InChIInChI=1S/C27H34N4.C26H36N6.C25H33N5.C25H32N4S.C22H31N5/c1-4-15-30(16-5-1)17-8-18-31(26-13-6-11-22-12-7-14-28-27(22)26)21-25-19-23-9-2-3-10-24(23)20-29-25;1-2-30-16-18-31(19-17-30)14-7-15-32(20-25-28-22-10-3-4-11-23(22)29-25)24-12-5-8-21-9-6-13-27-26(21)24;1-4-15-29(16-5-1)17-8-18-30(19-24-27-21-11-2-3-12-22(21)28-24)23-13-6-9-20-10-7-14-26-25(20)23;1-4-15-28(16-5-1)17-8-18-29(19-24-27-21-11-2-3-13-23(21)30-24)22-12-6-9-20-10-7-14-26-25(20)22;1-2-14-26(15-3-1)16-7-17-27(18-21-23-12-6-13-24-21)20-10-4-8-19-9-5-11-25-22(19)20/h2-3,7,9-10,12,14,19-20,26H,1,4-6,8,11,13,15-18,21H2;3-4,6,9-11,13,24H,2,5,7-8,12,14-20H2,1H3,(H,28,29);2-3,7,10-12,14,23H,1,4-6,8-9,13,15-19H2,(H,27,28);2-3,7,10-11,13-14,22H,1,4-6,8-9,12,15-19H2;5-6,9,11-13,20H,1-4,7-8,10,14-18H2/t26-;24-;23-;22-;20-/m00000/s1
InChIKeyGPYAOKWTJWQQFT-HRZVDTSNSA-N
XLogP23.04
TPSA209.01 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002036.94
LogP ≤ 523.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-pyrimido[4,5-b]indol-8-amine
CID 68271663
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-pyrimido[4,5-b]indol-8-amine
CID 77447500
2-N-ethyl-6-[6-[[4-[(6-fluoroimidazo[1,5-a]pyridin-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-methylamino]-1,3-benzothiazol-2-yl]-2-N-(2-phenylethyl)-4-N-(1,2,4-thiadiazol-5-yl)quinazoline-2,4-diamine
CID 142808318
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-6-(1,1-difluoroethyl)pyridine;2-tert-butyl-5-ethylpyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-4-ethynylpyridine;2-tert-butyl-6-methylpyrazine;4-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine
CID 160100012
2,5-dimethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(4-fluoro-2-methyl-1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-amine;7-phenyl-N-[2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-7-yl]-1,6-naphthyridin-5-amine
CID 164947162
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[3-(4-fluoropiperidin-1-yl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725956
2-[5-(5-fluoro-3-methyl-2-pyridinyl)-3-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725968
N-[2-[(1R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726041
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-[5-(4-fluoropiperidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726166
7-[4-(4-cyclohexylbutan-2-yl)piperazin-1-yl]-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole;N-[1-[7-[6-ethenyl-5-[3-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridin-1-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 177020779
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117093349

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 158330442) is (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is CCN1CCN(CCCN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)CC1.c1cnc(CN(CCCN2CCCCC2)[C@H]2CCCc3cccnc32)nc1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1cc2ccccc2cn1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2[nH]1.c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCCCC1)Cc1nc2ccccc2s1.
What is the InChIKey of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is GPYAOKWTJWQQFT-HRZVDTSNSA-N. The full InChI is InChI=1S/C27H34N4.C26H36N6.C25H33N5.C25H32N4S.C22H31N5/c1-4-15-30(16-5-1)17-8-18-31(26-13-6-11-22-12-7-14-28-27(22)26)21-25-19-23-9-2-3-10-24(23)20-29-25;1-2-30-16-18-31(19-17-30)14-7-15-32(20-25-28-22-10-3-4-11-23(22)29-25)24-12-5-8-21-9-6-13-27-26(21)24;1-4-15-29(16-5-1)17-8-18-30(19-24-27-21-11-2-3-12-22(21)28-24)23-13-6-9-20-10-7-14-26-25(20)23;1-4-15-28(16-5-1)17-8-18-29(19-24-27-21-11-2-3-13-23(21)30-24)22-12-6-9-20-10-7-14-26-25(20)22;1-2-14-26(15-3-1)16-7-17-27(18-21-23-12-6-13-24-21)20-10-4-8-19-9-5-11-25-22(19)20/h2-3,7,9-10,12,14,19-20,26H,1,4-6,8,11,13,15-18,21H2;3-4,6,9-11,13,24H,2,5,7-8,12,14-20H2,1H3,(H,28,29);2-3,7,10-12,14,23H,1,4-6,8-9,13,15-19H2,(H,27,28);2-3,7,10-11,13-14,22H,1,4-6,8-9,12,15-19H2;5-6,9,11-13,20H,1-4,7-8,10,14-18H2/t26-;24-;23-;22-;20-/m00000/s1.
What are the key properties of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 2036.94 g/mol, XLogP of 23.04, 36 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(1,3-benzothiazol-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(isoquinolin-3-ylmethyl)-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-(3-piperidin-1-ylpropyl)-N-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 158330442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).