2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane

C109H130Cl12N30O6 — CID 157057625

About 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane

2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane (PubChem CID 157057625) has the molecular formula C109H130Cl12N30O6 and a molecular weight of 2378.88 g/mol. Its IUPAC name is 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane.

Molecular Properties

• Compound Name: 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane
• PubChem CID: 157057625
• Molecular Formula: C109H130Cl12N30O6
• Molecular Weight: 2378.88 g/mol
• Exact Mass: 2371.74
• IUPAC Name: 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane
• SMILES: C.CCCCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1
• InChI: InChI=1S/2C19H23Cl2N5O.2C18H21Cl2N5O.2C17H19Cl2N5O.CH4/c2*1-3-4-5-8-26-12-14(23-24-26)11-25(2)10-13-6-7-15-16(20)9-17(21)19(27)18(15)22-13;2*1-3-4-7-25-11-13(22-23-25)10-24(2)9-12-5-6-14-15(19)8-16(20)18(26)17(14)21-12;2*1-3-6-24-10-12(21-22-24)9-23(2)8-11-4-5-13-14(18)7-15(19)17(25)16(13)20-11;/h2*6-7,9,12,27H,3-5,8,10-11H2,1-2H3;2*5-6,8,11,26H,3-4,7,9-10H2,1-2H3;2*4-5,7,10,25H,3,6,8-9H2,1-2H3;1H4/i2-1;;2-1;;2-1
• InChIKey: AAYDJTXRHWAECY-JGQMAMMRSA-N
• XLogP: 26.26
• TPSA: 402.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.88
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane?

The IUPAC name of 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane (CID 157057625) is 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane.

What is the SMILES notation for 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane?

The canonical SMILES for 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane is C.CCCCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCn1cc(CN(C)Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.CCCn1cc(CN([11CH3])Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1.

What is the InChIKey of 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane?

The InChIKey is AAYDJTXRHWAECY-JGQMAMMRSA-N. The full InChI is InChI=1S/2C19H23Cl2N5O.2C18H21Cl2N5O.2C17H19Cl2N5O.CH4/c2*1-3-4-5-8-26-12-14(23-24-26)11-25(2)10-13-6-7-15-16(20)9-17(21)19(27)18(15)22-13;2*1-3-4-7-25-11-13(22-23-25)10-24(2)9-12-5-6-14-15(19)8-16(20)18(26)17(14)21-12;2*1-3-6-24-10-12(21-22-24)9-23(2)8-11-4-5-13-14(18)7-15(19)17(25)16(13)20-11;/h2*6-7,9,12,27H,3-5,8,10-11H2,1-2H3;2*5-6,8,11,26H,3-4,7,9-10H2,1-2H3;2*4-5,7,10,25H,3,6,8-9H2,1-2H3;1H4/i2-1;;2-1;;2-1;;.

What are the key properties of 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane?

2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane has a molecular weight of 2378.88 g/mol, XLogP of 26.26, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1-butyltriazol-4-yl)methyl-(111C)methylamino]methyl]-5,7-dichloroquinolin-8-ol;2-[[(1-butyltriazol-4-yl)methyl-methylamino]methyl]-5,7-dichloroquinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-pentyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;5,7-dichloro-2-[[(111C)methyl-[(1-propyltriazol-4-yl)methyl]amino]methyl]quinolin-8-ol;methane is sourced from PubChem (CID 157057625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).