1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine

C21H21FN4O — CID 23395821

IUPAC1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1ncn2CCCCOCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c22-16-9-7-15(8-10-16)13-27-12-4-3-11-26-14-24-19-20(26)17-5-1-2-6-18(17)25-21(19)23/h1-2,5-10,14H,3-4,11-13H2,(H2,23,25)
InChIKeyJTSZFHRNDNVLLE-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.30
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine

1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 23395821) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID23395821
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2c1ncn2CCCCOCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c22-16-9-7-15(8-10-16)13-27-12-4-3-11-26-14-24-19-20(26)17-5-1-2-6-18(17)25-21(19)23/h1-2,5-10,14H,3-4,11-13H2,(H2,23,25)
InChIKeyJTSZFHRNDNVLLE-UHFFFAOYSA-N
XLogP4.30
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
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 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine (CID 23395821) is 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2c1ncn2CCCCOCc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is JTSZFHRNDNVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-16-9-7-15(8-10-16)13-27-12-4-3-11-26-14-24-19-20(26)17-5-1-2-6-18(17)25-21(19)23/h1-2,5-10,14H,3-4,11-13H2,(H2,23,25).
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine?
1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 364.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methoxy]butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 23395821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).