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

C25H20FN3O3 — CID 11224139

IUPAC1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-c2ccc3ncc4ncn(-c5ccccc5F)c4c3c2)c(OC)c1OC
InChIInChI=1S/C25H20FN3O3/c1-30-22-11-9-16(24(31-2)25(22)32-3)15-8-10-19-17(12-15)23-20(13-27-19)28-14-29(23)21-7-5-4-6-18(21)26/h4-14H,1-3H3
InChIKeyOEDLTTXMJKDIMV-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.41
Rot. Bonds5

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

1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline (PubChem CID 11224139) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline
PubChem CID11224139
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-c2ccc3ncc4ncn(-c5ccccc5F)c4c3c2)c(OC)c1OC
InChIInChI=1S/C25H20FN3O3/c1-30-22-11-9-16(24(31-2)25(22)32-3)15-8-10-19-17(12-15)23-20(13-27-19)28-14-29(23)21-7-5-4-6-18(21)26/h4-14H,1-3H3
InChIKeyOEDLTTXMJKDIMV-UHFFFAOYSA-N
XLogP5.41
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline (CID 11224139) is 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline is COc1ccc(-c2ccc3ncc4ncn(-c5ccccc5F)c4c3c2)c(OC)c1OC.
What is the InChIKey of 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline?
The InChIKey is OEDLTTXMJKDIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-30-22-11-9-16(24(31-2)25(22)32-3)15-8-10-19-17(12-15)23-20(13-27-19)28-14-29(23)21-7-5-4-6-18(21)26/h4-14H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline?
1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline has a molecular weight of 429.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-(2,3,4-trimethoxyphenyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 11224139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).