(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one

C148H202N26O4 — CID 157304303

IUPAC(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one
SMILESCN(C[C@@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ccnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ncnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(cccc2CC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C27H36N4O2.2C27H38N4O.C24H33N5.C23H32N6.C20H25N3/c1-30(26-9-3-5-20-8-4-10-28-27(20)26)18-23-16-25-21(6-2-7-22(25)17-29-23)15-24(32)19-31-11-13-33-14-12-31;2*1-30(26-11-3-7-22-9-4-12-28-27(22)26)20-24-18-25-21(6-2-8-23(25)19-29-24)10-5-13-31-14-16-32-17-15-31;1-28(22-9-5-7-18-8-6-11-25-23(18)22)17-20-15-21-19(16-27-20)10-12-26-24(21)29-13-3-2-4-14-29;1-28(21-9-5-7-17-8-6-10-24-22(17)21)15-18-13-19-20(14-25-18)26-16-27-23(19)29-11-3-2-4-12-29;1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2,4,6-8,10,23,26,29H,3,5,9,11-19H2,1H3;2*2,4,6,8-9,12,24,26,29H,3,5,7,10-11,13-20H2,1H3;6,8,10-12,20,22,27H,2-5,7,9,13-17H2,1H3;6,8,10,16,18,21,25H,2-5,7,9,11-15H2,1H3;2-3,5-7,9,11,18-19,22H,4,8,10,12-14H2,1H3/t23-,26+;24-,26+;24-,26-;20-,22-;18-,21-;18-,19+/m110001/s1
InChIKeyBCGQGUKXWPSVHJ-JKQUWKOMSA-N
MW2409.42 g/mol
LogP18.77
Rot. Bonds32

About (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one

(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one (PubChem CID 157304303) has the molecular formula C148H202N26O4 and a molecular weight of 2409.42 g/mol. Its IUPAC name is (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one
PubChem CID157304303
Molecular FormulaC148H202N26O4
Molecular Weight2409.42 g/mol
Exact Mass2407.64
IUPAC Name(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one
SMILESCN(C[C@@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ccnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ncnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(cccc2CC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C27H36N4O2.2C27H38N4O.C24H33N5.C23H32N6.C20H25N3/c1-30(26-9-3-5-20-8-4-10-28-27(20)26)18-23-16-25-21(6-2-7-22(25)17-29-23)15-24(32)19-31-11-13-33-14-12-31;2*1-30(26-11-3-7-22-9-4-12-28-27(22)26)20-24-18-25-21(6-2-8-23(25)19-29-24)10-5-13-31-14-16-32-17-15-31;1-28(22-9-5-7-18-8-6-11-25-23(18)22)17-20-15-21-19(16-27-20)10-12-26-24(21)29-13-3-2-4-14-29;1-28(21-9-5-7-17-8-6-10-24-22(17)21)15-18-13-19-20(14-25-18)26-16-27-23(19)29-11-3-2-4-12-29;1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2,4,6-8,10,23,26,29H,3,5,9,11-19H2,1H3;2*2,4,6,8-9,12,24,26,29H,3,5,7,10-11,13-20H2,1H3;6,8,10-12,20,22,27H,2-5,7,9,13-17H2,1H3;6,8,10,16,18,21,25H,2-5,7,9,11-15H2,1H3;2-3,5-7,9,11,18-19,22H,4,8,10,12-14H2,1H3/t23-,26+;24-,26+;24-,26-;20-,22-;18-,21-;18-,19+/m110001/s1
InChIKeyBCGQGUKXWPSVHJ-JKQUWKOMSA-N
XLogP18.77
TPSA268.59 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.42
LogP ≤ 518.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
CID 57441996
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethyl]-2-(4-propan-2-ylpiperazin-1-yl)quinoline-5-carboxamide
CID 58227864
(E)-N-[4-[2-[4-[2-[2-[[(E)-5-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]anilino]-3-methyl-5-oxopent-3-en-2-yl]amino]pyrimidin-5-yl]-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 88970848
1-[5-[7-(2-Fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 146904296
1-[2-Fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 146912346
1-[3-Fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 148724849
1-[4-[7-(2-Fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 148749740
1-[2-Fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 149343089
1-[3-Fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 152946337
1-[3-[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2,4-difluorophenyl]propan-2-one
CID 153273544
1-[2-Fluoro-4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 157913223
1-[3-[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-2-fluorophenyl]propan-2-one
CID 158228448

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one?
The IUPAC name of (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one (CID 157304303) is (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one.
What is the SMILES notation for (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one?
The canonical SMILES for (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one is CN(C[C@@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ccnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@@H]1Cc2c(ncnc2N2CCCCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(CCCN3CCOCC3)cccc2CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2c(cccc2CC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21.CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one?
The InChIKey is BCGQGUKXWPSVHJ-JKQUWKOMSA-N. The full InChI is InChI=1S/C27H36N4O2.2C27H38N4O.C24H33N5.C23H32N6.C20H25N3/c1-30(26-9-3-5-20-8-4-10-28-27(20)26)18-23-16-25-21(6-2-7-22(25)17-29-23)15-24(32)19-31-11-13-33-14-12-31;2*1-30(26-11-3-7-22-9-4-12-28-27(22)26)20-24-18-25-21(6-2-8-23(25)19-29-24)10-5-13-31-14-16-32-17-15-31;1-28(22-9-5-7-18-8-6-11-25-23(18)22)17-20-15-21-19(16-27-20)10-12-26-24(21)29-13-3-2-4-14-29;1-28(21-9-5-7-17-8-6-10-24-22(17)21)15-18-13-19-20(14-25-18)26-16-27-23(19)29-11-3-2-4-12-29;1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2,4,6-8,10,23,26,29H,3,5,9,11-19H2,1H3;2*2,4,6,8-9,12,24,26,29H,3,5,7,10-11,13-20H2,1H3;6,8,10-12,20,22,27H,2-5,7,9,13-17H2,1H3;6,8,10,16,18,21,25H,2-5,7,9,11-15H2,1H3;2-3,5-7,9,11,18-19,22H,4,8,10,12-14H2,1H3/t23-,26+;24-,26+;24-,26-;20-,22-;18-,21-;18-,19+/m110001/s1.
What are the key properties of (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one?
(8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one has a molecular weight of 2409.42 g/mol, XLogP of 18.77, 32 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-[[(3S)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-piperidin-1-yl-1,2,3,4-tetrahydro-2,6-naphthyridin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(6S)-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-6-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;1-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 157304303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).