1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline

C27H23FN4 — CID 11189392

IUPAC1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCCC5)c4)cc3c21
InChIInChI=1S/C27H23FN4/c28-23-8-1-2-9-26(23)32-18-30-25-16-29-24-11-10-21(15-22(24)27(25)32)20-7-5-6-19(14-20)17-31-12-3-4-13-31/h1-2,5-11,14-16,18H,3-4,12-13,17H2
InChIKeyLFXUIEDMBRQXSJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.98
Rot. Bonds4

About 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline

1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline (PubChem CID 11189392) has the molecular formula C27H23FN4 and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline
PubChem CID11189392
Molecular FormulaC27H23FN4
Molecular Weight422.51 g/mol
Exact Mass422.19
IUPAC Name1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCCC5)c4)cc3c21
InChIInChI=1S/C27H23FN4/c28-23-8-1-2-9-26(23)32-18-30-25-16-29-24-11-10-21(15-22(24)27(25)32)20-7-5-6-19(14-20)17-31-12-3-4-13-31/h1-2,5-11,14-16,18H,3-4,12-13,17H2
InChIKeyLFXUIEDMBRQXSJ-UHFFFAOYSA-N
XLogP5.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline (CID 11189392) is 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline is Fc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCCC5)c4)cc3c21.
What is the InChIKey of 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline?
The InChIKey is LFXUIEDMBRQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4/c28-23-8-1-2-9-26(23)32-18-30-25-16-29-24-11-10-21(15-22(24)27(25)32)20-7-5-6-19(14-20)17-31-12-3-4-13-31/h1-2,5-11,14-16,18H,3-4,12-13,17H2.
What are the key properties of 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline?
1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline has a molecular weight of 422.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 11189392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).