6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid

C18H18Cl2N4O2 — CID 162751052

IUPAC6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C18H18Cl2N4O2/c19-13-6-5-12-14(24-9-8-21-11-24)10-15(23-18(12)17(13)20)22-7-3-1-2-4-16(25)26/h5-6,8-11H,1-4,7H2,(H,22,23)(H,25,26)
InChIKeyIIMFVVMUUFMXML-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.78
Rot. Bonds8

About 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid

6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid (PubChem CID 162751052) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid
PubChem CID162751052
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C18H18Cl2N4O2/c19-13-6-5-12-14(24-9-8-21-11-24)10-15(23-18(12)17(13)20)22-7-3-1-2-4-16(25)26/h5-6,8-11H,1-4,7H2,(H,22,23)(H,25,26)
InChIKeyIIMFVVMUUFMXML-UHFFFAOYSA-N
XLogP4.78
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid (CID 162751052) is 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid is O=C(O)CCCCCNc1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid?
The InChIKey is IIMFVVMUUFMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c19-13-6-5-12-14(24-9-8-21-11-24)10-15(23-18(12)17(13)20)22-7-3-1-2-4-16(25)26/h5-6,8-11H,1-4,7H2,(H,22,23)(H,25,26).
What are the key properties of 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid?
6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid has a molecular weight of 393.27 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 162751052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).