N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C55H59N9S2 — CID 135185908

About N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 135185908) has the molecular formula C55H59N9S2 and a molecular weight of 910.27 g/mol. Its IUPAC name is N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 135185908
• Molecular Formula: C55H59N9S2
• Molecular Weight: 910.27 g/mol
• Exact Mass: 909.43
• IUPAC Name: N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: c1ccc(CNCc2ccc(CN(Cc3cccs3)C3CCCc4cccnc43)cc2)nc1.c1ccc(CNCc2ccc(CN(Cc3nccs3)C3CCCc4cccnc43)cc2)nc1
• InChI: InChI=1S/C28H30N4S.C27H29N5S/c1-2-15-30-25(8-1)19-29-18-22-11-13-23(14-12-22)20-32(21-26-9-5-17-33-26)27-10-3-6-24-7-4-16-31-28(24)27;1-2-13-29-24(7-1)18-28-17-21-9-11-22(12-10-21)19-32(20-26-30-15-16-33-26)25-8-3-5-23-6-4-14-31-27(23)25/h1-2,4-5,7-9,11-17,27,29H,3,6,10,18-21H2;1-2,4,6-7,9-16,25,28H,3,5,8,17-20H2
• InChIKey: PRCHZIGOQIYBTI-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 94.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.27
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 135185908) is N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc(CNCc2ccc(CN(Cc3cccs3)C3CCCc4cccnc43)cc2)nc1.c1ccc(CNCc2ccc(CN(Cc3nccs3)C3CCCc4cccnc43)cc2)nc1.

What is the InChIKey of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is PRCHZIGOQIYBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4S.C27H29N5S/c1-2-15-30-25(8-1)19-29-18-22-11-13-23(14-12-22)20-32(21-26-9-5-17-33-26)27-10-3-6-24-7-4-16-31-28(24)27;1-2-13-29-24(7-1)18-28-17-21-9-11-22(12-10-21)19-32(20-26-30-15-16-33-26)25-8-3-5-23-6-4-14-31-27(23)25/h1-2,4-5,7-9,11-17,27,29H,3,6,10,18-21H2;1-2,4,6-7,9-16,25,28H,3,5,8,17-20H2.

What are the key properties of N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 910.27 g/mol, XLogP of 11.21, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 135185908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).