3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide

C83H98N16O4S — CID 159253390

IUPAC3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide
SMILESCC(C)c1cccnc1CN(CCC(N)=O)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1ncccc1-c1ccccc1)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccs1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H26N4O.C22H24N4O.C21H28N4O.C16H20N4OS/c25-23(29)13-16-28(22-12-4-9-19-10-5-15-27-24(19)22)17-21-20(11-6-14-26-21)18-7-2-1-3-8-18;23-21(27)11-14-26(20-9-3-6-17-7-4-12-25-22(17)20)15-19-18-8-2-1-5-16(18)10-13-24-19;1-15(2)17-8-5-11-23-18(17)14-25(13-10-20(22)26)19-9-3-6-16-7-4-12-24-21(16)19;17-14(21)6-9-20(11-15-18-8-10-22-15)13-5-1-3-12-4-2-7-19-16(12)13/h1-3,5-8,10-11,14-15,22H,4,9,12-13,16-17H2,(H2,25,29);1-2,4-5,7-8,10,12-13,20H,3,6,9,11,14-15H2,(H2,23,27);4-5,7-8,11-12,15,19H,3,6,9-10,13-14H2,1-2H3,(H2,22,26);2,4,7-8,10,13H,1,3,5-6,9,11H2,(H2,17,21)/t22-;20-;19-;13-/m0000/s1
InChIKeyKVOUZMPLTWEYDF-IPSNKHCMSA-N
MW1415.87 g/mol
LogP12.93
Rot. Bonds26

About 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide

3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide (PubChem CID 159253390) has the molecular formula C83H98N16O4S and a molecular weight of 1415.87 g/mol. Its IUPAC name is 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide
PubChem CID159253390
Molecular FormulaC83H98N16O4S
Molecular Weight1415.87 g/mol
Exact Mass1414.77
IUPAC Name3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide
SMILESCC(C)c1cccnc1CN(CCC(N)=O)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1ncccc1-c1ccccc1)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccs1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H26N4O.C22H24N4O.C21H28N4O.C16H20N4OS/c25-23(29)13-16-28(22-12-4-9-19-10-5-15-27-24(19)22)17-21-20(11-6-14-26-21)18-7-2-1-3-8-18;23-21(27)11-14-26(20-9-3-6-17-7-4-12-25-22(17)20)15-19-18-8-2-1-5-16(18)10-13-24-19;1-15(2)17-8-5-11-23-18(17)14-25(13-10-20(22)26)19-9-3-6-16-7-4-12-24-21(16)19;17-14(21)6-9-20(11-15-18-8-10-22-15)13-5-1-3-12-4-2-7-19-16(12)13/h1-3,5-8,10-11,14-15,22H,4,9,12-13,16-17H2,(H2,25,29);1-2,4-5,7-8,10,12-13,20H,3,6,9,11,14-15H2,(H2,23,27);4-5,7-8,11-12,15,19H,3,6,9-10,13-14H2,1-2H3,(H2,22,26);2,4,7-8,10,13H,1,3,5-6,9,11H2,(H2,17,21)/t22-;20-;19-;13-/m0000/s1
InChIKeyKVOUZMPLTWEYDF-IPSNKHCMSA-N
XLogP12.93
TPSA288.44 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.87
LogP ≤ 512.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide?
The IUPAC name of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide (CID 159253390) is 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide.
What is the SMILES notation for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide?
The canonical SMILES for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide is CC(C)c1cccnc1CN(CCC(N)=O)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1ncccc1-c1ccccc1)[C@H]1CCCc2cccnc21.NC(=O)CCN(Cc1nccs1)[C@H]1CCCc2cccnc21.
What is the InChIKey of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide?
The InChIKey is KVOUZMPLTWEYDF-IPSNKHCMSA-N. The full InChI is InChI=1S/C24H26N4O.C22H24N4O.C21H28N4O.C16H20N4OS/c25-23(29)13-16-28(22-12-4-9-19-10-5-15-27-24(19)22)17-21-20(11-6-14-26-21)18-7-2-1-3-8-18;23-21(27)11-14-26(20-9-3-6-17-7-4-12-25-22(17)20)15-19-18-8-2-1-5-16(18)10-13-24-19;1-15(2)17-8-5-11-23-18(17)14-25(13-10-20(22)26)19-9-3-6-16-7-4-12-24-21(16)19;17-14(21)6-9-20(11-15-18-8-10-22-15)13-5-1-3-12-4-2-7-19-16(12)13/h1-3,5-8,10-11,14-15,22H,4,9,12-13,16-17H2,(H2,25,29);1-2,4-5,7-8,10,12-13,20H,3,6,9,11,14-15H2,(H2,23,27);4-5,7-8,11-12,15,19H,3,6,9-10,13-14H2,1-2H3,(H2,22,26);2,4,7-8,10,13H,1,3,5-6,9,11H2,(H2,17,21)/t22-;20-;19-;13-/m0000/s1.
What are the key properties of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide?
3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide has a molecular weight of 1415.87 g/mol, XLogP of 12.93, 26 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-phenyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[(3-propan-2-yl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide;3-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-(1,3-thiazol-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 159253390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).