1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine

C23H30N6 — CID 119106622

IUPAC1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
SMILESc1ccc2nc(N3CCCCC3)c(CNCc3nnc4n3CCCCC4)cc2c1
InChIInChI=1S/C23H30N6/c1-3-11-21-26-27-22(29(21)14-8-1)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)28-12-6-2-7-13-28/h4-5,9-10,15,24H,1-3,6-8,11-14,16-17H2
InChIKeyTXUQCNMEHRFSGC-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine

1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine (PubChem CID 119106622) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
PubChem CID119106622
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
SMILESc1ccc2nc(N3CCCCC3)c(CNCc3nnc4n3CCCCC4)cc2c1
InChIInChI=1S/C23H30N6/c1-3-11-21-26-27-22(29(21)14-8-1)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)28-12-6-2-7-13-28/h4-5,9-10,15,24H,1-3,6-8,11-14,16-17H2
InChIKeyTXUQCNMEHRFSGC-UHFFFAOYSA-N
XLogP3.83
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine with MolForge

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Related Compounds

N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119106670
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
CID 146125966
1-(4,5-dimethoxy-2-phenylphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119110935
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 119127944
1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658
2-naphthalen-2-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 46524881

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine (CID 119106622) is 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine is c1ccc2nc(N3CCCCC3)c(CNCc3nnc4n3CCCCC4)cc2c1.
What is the InChIKey of 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine?
The InChIKey is TXUQCNMEHRFSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-3-11-21-26-27-22(29(21)14-8-1)17-24-16-19-15-18-9-4-5-10-20(18)25-23(19)28-12-6-2-7-13-28/h4-5,9-10,15,24H,1-3,6-8,11-14,16-17H2.
What are the key properties of 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine?
1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine has a molecular weight of 390.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine is sourced from PubChem (CID 119106622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).